For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.
(3-methyl-5-nitro-3H-imidazol-4-ylsulfanyl)-acetic acid
SpectraBase Compound ID BSmlOKbb3Tv
InChI InChI=1S/C6H7N3O4S/c1-8-3-7-5(9(12)13)6(8)14-2-4(10)11/h3H,2H2,1H3,(H,10,11)
InChIKey TUQQNQSADKYHNI-UHFFFAOYSA-N
Mol Weight 217.2 g/mol
Molecular Formula C6H7N3O4S
Exact Mass 217.015727 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID 5znw8fi25Xa
Name (3-methyl-5-nitro-3H-imidazol-4-ylsulfanyl)-acetic acid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C6H7N3O4S
InChI InChI=1S/C6H7N3O4S/c1-8-3-7-5(9(12)13)6(8)14-2-4(10)11/h3H,2H2,1H3,(H,10,11)
InChIKey TUQQNQSADKYHNI-UHFFFAOYSA-N
Molecular Weight 217.199 g/mol
SMILES OC(CSc1c(nc[n]1C)N(=O)=O)=O
SPLASH splash10-00kf-9400000000-1fad8d6967767b422b9f
Synonyms [(1-methyl-4-nitro-1H-imidazol-5-yl)sulfanyl]acetic acid 2-(3-Methyl-5-nitro-imidazol-4-yl)sulfanylacetic acid 2-(3-Methyl-5-nitroimidazol-4-yl)sulfanylacetic acid 2-[(3-methyl-5-nitro-4-imidazolyl)thio]acetic acid 2-(3-Methyl-5-nitro-imidazol-4-yl)sulfanylethanoic acid 2-[(3-methyl-5-nitro-imidazol-4-yl)thio]acetic acid
Wiley ID 1465756