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2-methyl-5-nitroimidazole-1-ethanol, methylthiocarbamate
SpectraBase Compound ID B83lfGDHy2m
InChI InChI=1S/C8H12N4O3S/c1-6-10-5-7(12(13)14)11(6)3-4-15-8(16)9-2/h5H,3-4H2,1-2H3,(H,9,16)
InChIKey DOMWJSNQLXSQRN-UHFFFAOYSA-N
Mol Weight 244.27 g/mol
Molecular Formula C8H12N4O3S
Exact Mass 244.063011 g/mol

Transmission Infrared (IR) Spectrum

Transmission Infrared (IR) Spectrum

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SpectraBase Spectrum ID N7WWRGL917
Name 2-METHYL-5-NITROIMIDAZOLE-1-ETHANOL, METHYLTHIOCARBAMATE
Source of Sample J. VAN ROMPAY, JANSSEN-PHARMACEUTICA N.V., BEERSE, BELGIUM
Copyright Copyright © 1980, 1981-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C8H12N4O3S
InChI InChI=1S/C8H12N4O3S/c1-6-10-5-7(12(13)14)11(6)3-4-15-8(16)9-2/h5H,3-4H2,1-2H3,(H,9,16)
InChIKey DOMWJSNQLXSQRN-UHFFFAOYSA-N
Literature Reference EUR. J. MED. CHEM.-CHIM. THER. 11, 237(1976) Abstract-Chemical Abstracts= 86, 5370(1977)
Melting Point 180.0C
Molecular Weight 244.268997
Synonyms CARBAMIC ACID, METHYLTHIO-, O-ESTER WITH 2-METHYL-5-NITROIMIDAZOLE- 1-ETHANOL METHYLTHIOCARBAMIC ACID, O-ESTER WITH 2-METHYL-5-NITROIMIDAZOLE-1-ETHANOL IMIDAZOLE-1-ETHANOL, 2-METHYL- 5-NITRO-, METHYLTHIOCARBAMATE
Technique KBr WAFER