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3-methyl-1,2-thiazole-4-carboxylic acid
SpectraBase Compound ID J7iRPQxjGPh
InChI InChI=1S/C5H5NO2S/c1-3-4(5(7)8)2-9-6-3/h2H,1H3,(H,7,8)
InChIKey BOTUFHIAKJCIPY-UHFFFAOYSA-N
Mol Weight 143.16 g/mol
Molecular Formula C5H5NO2S
Exact Mass 143.0041 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FBqd55pOfaR
Name 4-Isothiazolecarboxylic acid, 3-methyl-
Alternate Name(s) 3-Methyl-4-isothiazolecarboxylic acid 3-Methyl-1,2-thiazole-4-carboxylic acid 3-Methylisothiazole-4-carboxylic acid
CAS Registry Number 15903-66-9
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C5H5NO2S
InChI InChI=1S/C5H5NO2S/c1-3-4(5(7)8)2-9-6-3/h2H,1H3,(H,7,8)
InChIKey BOTUFHIAKJCIPY-UHFFFAOYSA-N
Molecular Weight 143.160 g/mol
SMILES OC(c1csnc1C)=O
SPLASH splash10-056u-9700000000-0b685552e3f5edf2eb91
Source of Spectrum AD-0-5718-0
Wiley ID 1141768