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List of Spectra /Compound Names IS NIR Spectra Complete collection (6049 spectra) This collection includes all NIR spectra collected within this project. Those are organic and inorganic chemicals, pharmaceutical excipients, drugs, polymers, additives, coatings, dyes, pigments, toxic substances, hazardous substances like explosives, agrochemicals and other types of materials. This collection should be chosen by customers with broad range of analytical applications. The near infrared spectral library „IS NIR Spectra“ is a unique collection of 6049 NIR (near infrared) digital spectra. The spectra have been collected in range 4200-10000 cm-1 (=2.4 – 1 micrometers). „IS NIR Spectra“ is the biggest and newest NIR library available on the market. This spectral library has been designed for users who use their NIR spectrometer not only for quantitative and chemometric analysis, but also want to identify unknown samples or just want to use the library as reference spectra database. ra t IS means “Intergrating Sphere” and at the same time “Identify Samplec”. e Technical parameters: p The „IS NIR Spectra“ were collected using the FT-NIR Spectrometer equipped with Integrating Sphere Accessory. Resolution: standard 4cm-1 IR Customized resolution: upon special request the speNctra can be delivered in customized resolution to reach better correspondence with spectr a collected by customer NIR instrument Spectral range in wavenumbers units: 4200-1000I0S cm-1 Spectral range in wavelength units: 2.4 – 1 micr ometers Only one spectrum/compound covering the mentioned spectral range Typical text information about the sample inmcludes (when available): Compound name including synonyms o CAS number .c Chemical formula a Molecular weight tr Additional information about thec sample like manufacturer and comments. e Download a free NIR librarpy of 30 NIR spectra to check the compatibility of you instrument with the „IS NIR Spectr-as“. r Samples were selecteid and NIR spectra collected 2010-2012. _______________________________________________________________________ IS NIR Spectra – Complete Collection 6049 NIR spectra Copyright © NICODOM 2012 NICODOM Ltd., Hlavni 2727, CZ-14100 Praha 4, Czech Republic, EU Tel: +420-281914970, Fax: +420-281914971 http://www.ir-spectra.com/ [email protected] [email protected] Page 1 from 252 This library is available as digital searchable library compatible with your spectroscopic software. Visit the „Download“ section of our webpage to select the correct library format. The spectra are available in wavenumbers (cm-1) units or wavelength (micrometer) units. Also the library can be delivered with SEARCH software or in *.pdf format (if you do not have a spectroscopic software). The near infrared spectral library „IS NIR Spectra” can be purchased as a complete collection of over 6049 spectra or as following application specific sublibraries. Ordering Code Library Name Number of Spectra ISNNCM-X IS NIR Complete Collection 6049 IS NIR Sublibraries*: ISNNST-X IS NIR Starter 1043 ISNNPH-X IS NIR Pharma, Drugs 1340 ISNNPO-X IS NIR Polymers, Additives 1740 ISNNHA-X IS NIR Hazardous, Toxic 1718 ISNNDY-X IS NIR Dyes, Pigments 1005 a * all sublibraries spectra are included in the complete collection ISNNCM-tXr and have the same technical parameters c e p S R I N IS m o .c a tr c e p s - ir _______________________________________________________________________ IS NIR Spectra – Complete Collection 6049 NIR spectra Copyright © NICODOM 2012 NICODOM Ltd., Hlavni 2727, CZ-14100 Praha 4, Czech Republic, EU Tel: +420-281914970, Fax: +420-281914971 http://www.ir-spectra.com/ [email protected] [email protected] Page 2 from 252 Example Spectra Pictures: NIR spectrum of Sucrose (powder), C12H22O11, CAS: 57-50-1, in cm-1 units (range 4200-10000 cm-1), the second spectrum in micrometers (2.4 – 1 micrometers), both resolution 4cm-1, Copyright Nicodom 2012 a tr c e p S IR N S I m o .c a tr c e p -s ir _______________________________________________________________________ IS NIR Spectra – Complete Collection 6049 NIR spectra Copyright © NICODOM 2012 NICODOM Ltd., Hlavni 2727, CZ-14100 Praha 4, Czech Republic, EU Tel: +420-281914970, Fax: +420-281914971 http://www.ir-spectra.com/ [email protected] [email protected] Page 3 from 252 List of Spectra /Compound Names 1-Chloro-4-nitrobenzene 4-Nitroaniline p-Nitrophenol 4´-Methoxyacetophenone 4-Methoxybenzoic acid p-Dimethylaminobenzaldehyde p-Nitrobenzyl bromide a-Cyclodextrin hydrate 4-Nitrophenylhydrazine 4´-Nitroacetophenone Quinoline Yellow Lake Terephthalic acid p-Dinitrobenzene Pentadecanoic acid Pyrrole-2-carboxaldehyde a 2-Thiophenecarbonitrile tr N,N-Diethylethylenediamine c 4-Picoline-N-oxide e N,N-Diethylethanolamine p Benzyl bromide S Sodium Picosulfate Ethylbenzene R Styrene I 2,4,6-Triaminopyrimidine N Benzyl chloride 1,4,7,10-tetraazacyclododecane tetrahydrochloridIeS Benzylamine Benzonitrile m 4-Cyanopyridine o Benzyl alcohol .c Benzaldehyde a 3-Cyanopyridine tr N-Methylcyclohexylamine c 10-{N-[3,3-bis(phosphonic aecid)propyl]aminocarboxymethyl}-1,4,7,10- tetraazacyclododecane-1,4p,7-triacetic acid Phenylhydrazine s Thioanisole - 9,10-Bis(phenylethyniyrl)anthracene 2,2-Dimethyl-1,3-dioxolane-4-methanol Naugard 445 _______________________________________________________________________ IS NIR Spectra – Complete Collection 6049 NIR spectra Copyright © NICODOM 2012 NICODOM Ltd., Hlavni 2727, CZ-14100 Praha 4, Czech Republic, EU Tel: +420-281914970, Fax: +420-281914971 http://www.ir-spectra.com/ [email protected] [email protected] Page 4 from 252 3-Hydroxybenzaldehyde Aranox Hexamethylenetetramine L-Lysine Monohydrochloride Triphenyl phosphite 1,4,7-Oxadiazonane dihydrobromide Triethanolamine zirconate N,N´-bis(ethylphosphonic Acid Diethylester)Piperazine Basic Brown 1 | Bismarck Brown Rhodium, carbonyl(2,4-pentanedionato-O,O')(tricyclohexylphosphine)-, (SP-4-2)- (9CI) 2,6-Dichloroquinone-4-chloroimide 3-Phenyl-1-propyne 10-{[(2,2-Bisphosphonoethyl)hydroxyphosphoryl]methyl}-1,4,7,10-tetraazacyclododecane- 1,4,7-triacetic acid 4,4'-Methylenebis(N,N-dimethylaniline) Nonox ZA Diaminodiphenylmethane Diphenylmethane Phenyl Ether a ASM 4010 tr Ferrocene, 1-carboxy-1'-(diphenylphosphinothioyl)- c Topanol M e 4-Chloro-7-nitrobenzo-2-oxa-1,3-diazole p Acetoacetanilide S Phenylbiguanide 3,5-Di-tert-butylcatechol R 1,3-Diphenylurea I 1,3-Diphenyl-2-thiourea N Hydrazinium hydroxide S Glybenclamide I Ferrocene Maprotiline m Tripropylamine o Triethanolamine .c Levetiracetam a 2-(Dibutylamino)ethanol tr Trihexylamine c endo-3-Bromo-d-camphor e 3,9-Dibromocamphor p beta-Nitrostyrene s 6-Chloro-1-hexyne - n-(8-quinolyl)-p-toluiernesulfonamide 2-Ethylhexyl acrylate D-(-)-Arabinose _______________________________________________________________________ IS NIR Spectra – Complete Collection 6049 NIR spectra Copyright © NICODOM 2012 NICODOM Ltd., Hlavni 2727, CZ-14100 Praha 4, Czech Republic, EU Tel: +420-281914970, Fax: +420-281914971 http://www.ir-spectra.com/ [email protected] [email protected] Page 5 from 252 Methyl cinnamate D-(-)-Lactic acid N-Methylisatoic anhydride Trans-Stilbene Azobenzene Ethyl cinnamate 2-Phenylethyl acetate 2-(N-Cyclohexylamino)ethanesulfonic acid; CHES Dibenzylamine 2-Phenoxyethyl isobutyrate b-Bromostyrene N-Benzylmethylamine 5,7,7,12,14,14-hexamethylcyclam Ethylaniline Phenyl Isocyanate Phenyl isothiocyanate N-(2-Hydroxyethyl)piperazine 2-Phenylacetamide Phenylacetic acid a N,N-Dimethylbenzylamine tr Acetanilide c 1-Phenyl-2-thiourea e Potassium thioacetate p Lacidipine S 4´-Methylacetanilide Acetaminophen R 4'-Aminooxanilic acid I Diethyl Iodomethylphosphonate N 3-Acetyl umbelliferone S Tetrabutylammonium cyanide I Anethole Cinnamyl alcohol m Oxalate Iron dihydrate o 2-Ethylhexylamine .c Tinuvin 1130 a p-Tolunitrile tr 4-Chlorobenzaldehyde c 5-Ethyl-2-methylpyridine e 4-Bromoanisole p 3-Dodecylthiophene s p-Anisidine - 4-Cyanobenzaldehydier Cresyl Fast Violet Sokrat 6492 _______________________________________________________________________ IS NIR Spectra – Complete Collection 6049 NIR spectra Copyright © NICODOM 2012 NICODOM Ltd., Hlavni 2727, CZ-14100 Praha 4, Czech Republic, EU Tel: +420-281914970, Fax: +420-281914971 http://www.ir-spectra.com/ [email protected] [email protected] Page 6 from 252 Methyl cyanoacetate Ethyl bromoacetate Ethyl chloroacetate Ethyl crotonate Diethyl-3-oxoglutarate Diethyl malonate Ethyl butyrate Ethyl cyanoacetate N-methyldiethanolamine 2-Oxohexamethyleneimine N,N'-bis-(3-Aminopropyl)Ethylenediamine Dibutyl maleate O-(N-succinimidyl)-N,N,N´,N´-tetramethyluronium tetrafluoroborate Eriochrom Blue SE Carbendazim Butyl laurate DL-Citronellol Risperidone Hydrochloride Hemipentahydrate Cholesteryl Caproate a Ethyl caprylate tr Ethyl dodecanoate c Quinhydrone e p-Dibromobenzene p 4-Bromochlorobenzene S 4-Bromoaniline 4-Bromophenol R 4-Chlorotoluene I p-Cresol N p-Dichlorobenzene S 4-Chloroaniline I 4-Chlorophenol p-Toluidine m 1,4-Phenylenediamine o p-Benzoquinone .c Dimethyl succinate a Aminomethylphosphonic acid tr Dibutyltin diacetate c Diethyl (2-oxopropyl)phosphoenate Diethyl dithiophosphate, ampmonium salt 4-Vinylcyclohexene dioxisde Epichlorhydrin - Glycidyl methacrylatei r 1,2-Dibromoethane 1-Bromopropane _______________________________________________________________________ IS NIR Spectra – Complete Collection 6049 NIR spectra Copyright © NICODOM 2012 NICODOM Ltd., Hlavni 2727, CZ-14100 Praha 4, Czech Republic, EU Tel: +420-281914970, Fax: +420-281914971 http://www.ir-spectra.com/ [email protected] [email protected] Page 7 from 252 1,5,8,12-tetrakis[4,6-bis(n-butyl-n-1,2,2,6,6-pentamethyl-4-piperidylamino)-1,3,5-triazin-
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