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2-(formylamino)thiazole-4-carboxylic acid
SpectraBase Compound ID 52I1mtUu87z
InChI InChI=1S/C5H4N2O3S/c8-2-6-5-7-3(1-11-5)4(9)10/h1-2H,(H,9,10)(H,6,7,8)
InChIKey LBHFPCVCWMUAIZ-UHFFFAOYSA-N
Mol Weight 172.16 g/mol
Molecular Formula C5H4N2O3S
Exact Mass 171.994263 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7rdHW8msMuN
Name 2-(formylamino)thiazole-4-carboxylic acid
Alternate Name(s) 2-(formylamino)-1,3-thiazole-4-carboxylic acid 2-formamido-4-thiazolecarboxylic acid 2-formamido-1,3-thiazole-4-carboxylic acid
CAS Registry Number 123724-92-5
Comments Less than 3 mono-isotopic peaks
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Formula C5H4N2O3S
InChI InChI=1S/C5H4N2O3S/c8-2-6-5-7-3(1-11-5)4(9)10/h1-2H,(H,9,10)(H,6,7,8)
InChIKey LBHFPCVCWMUAIZ-UHFFFAOYSA-N
Molecular Weight 172.158 g/mol
SMILES N(c1nc(C(=O)O)cs1)C=O
SPLASH splash10-00b9-0900000000-cf739c485fce5190d0e3
Source of Spectrum J-55-736-26
Wiley ID 1168181