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2-Acetylaminothiazole-4-carboxylic acid
SpectraBase Compound ID 71az68q2ltt
InChI InChI=1S/C6H6N2O3S/c1-3(9)7-6-8-4(2-12-6)5(10)11/h2H,1H3,(H,10,11)(H,7,8,9)
InChIKey ZKINQVZUSLLCJY-UHFFFAOYSA-N
Mol Weight 186.19 g/mol
Molecular Formula C6H6N2O3S
Exact Mass 186.009913 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID IdozmHNIMF
Name 2-Acetylaminothiazole-4-carboxylic acid
Alternate Name(s) 2-(acetylamino)-1,3-thiazole-4-carboxylic acid 2-acetamido-1,3-thiazole-4-carboxylic acid 2-acetamido-4-thiazolecarboxylic acid 2-acetamidothiazole-4-carboxylic acid
Comments Less than 3 mono-isotopic peaks
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Formula C6H6N2O3S
InChI InChI=1S/C6H6N2O3S/c1-3(9)7-6-8-4(2-12-6)5(10)11/h2H,1H3,(H,10,11)(H,7,8,9)
InChIKey ZKINQVZUSLLCJY-UHFFFAOYSA-N
Molecular Weight 186.185 g/mol
SMILES N(c1nc(C(=O)O)cs1)C(=O)C
SPLASH splash10-0006-0900000000-cca4ba9aaa798ad7ecbb
Source of Spectrum H1-45-1304-7
Wiley ID 815867