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[(2-Methyl-4-nitro-1H-imidazol-5-yl)sulfanyl]acetic acid
SpectraBase Compound ID E3G10WLOyrQ
InChI InChI=1S/C6H7N3O4S/c1-3-7-5(9(12)13)6(8-3)14-2-4(10)11/h2H2,1H3,(H,7,8)(H,10,11)
InChIKey ODNCFZQUNCXZEA-UHFFFAOYSA-N
Mol Weight 217.2 g/mol
Molecular Formula C6H7N3O4S
Exact Mass 217.015727 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7sqUVmOLa1c
Name [(2-Methyl-4-nitro-1H-imidazol-5-yl)sulfanyl]acetic acid
CAS Registry Number 2654-21-9
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C6H7N3O4S
InChI InChI=1S/C6H7N3O4S/c1-3-7-5(9(12)13)6(8-3)14-2-4(10)11/h2H2,1H3,(H,7,8)(H,10,11)
InChIKey ODNCFZQUNCXZEA-UHFFFAOYSA-N
Molecular Weight 217.199 g/mol
SMILES [nH]1c(SCC(=O)O)c(nc1C)N(=O)=O
SPLASH splash10-0006-9100000000-eaf80b800abbb3fabff7
Source of Spectrum AD-0-2532-0
Synonyms 2-[(2-methyl-5-nitro-1H-imidazol-4-yl)sulfanyl]acetic acid 2-[(2-methyl-5-nitro-1H-imidazol-4-yl)sulfanyl]ethanoic acid 2-[(2-methyl-5-nitro-1H-imidazol-4-yl)thio]acetic acid Acetic acid, [(2-methyl-5-nitro-1H-imidazol-4-yl)thio]-
Wiley ID 1428591