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2-(2-Methyl-1,3-thiazol-4-yl)-1,3-thiazole-4-carboxylic acid
SpectraBase Compound ID Cron9XIqjUl
InChI InChI=1S/C8H6N2O2S2/c1-4-9-5(2-13-4)7-10-6(3-14-7)8(11)12/h2-3H,1H3,(H,11,12)
InChIKey LLDGWHFDLMKSGO-UHFFFAOYSA-N
Mol Weight 226.27 g/mol
Molecular Formula C8H6N2O2S2
Exact Mass 225.98707 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5u8ecG8hK5e
Name 2-(2-Methyl-1,3-thiazol-4-yl)-1,3-thiazole-4-carboxylic acid
CAS Registry Number 91520-83-1
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C8H6N2O2S2
InChI InChI=1S/C8H6N2O2S2/c1-4-9-5(2-13-4)7-10-6(3-14-7)8(11)12/h2-3H,1H3,(H,11,12)
InChIKey LLDGWHFDLMKSGO-UHFFFAOYSA-N
Molecular Weight 226.268 g/mol
SMILES OC(c1nc(-c2nc(C)sc2)sc1)=O
SPLASH splash10-056r-8590000000-7dd4bb10e48037933656
Source of Spectrum Y-21-468-0
Synonyms 2-(2-Methyl-4-thiazolyl)-4-thiazolecarboxylic acid 2-(2-Methylthiazol-4-yl)thiazole-4-carboxylic acid
Wiley ID 1226753