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2-(tert-Butylsulfanyl)-4-methyl-1,3-thiazole-5-carboxylic acid
SpectraBase Compound ID 5ws6nKFYxjw
InChI InChI=1S/C9H13NO2S2/c1-5-6(7(11)12)13-8(10-5)14-9(2,3)4/h1-4H3,(H,11,12)
InChIKey UWHOLKUHODSCAZ-UHFFFAOYSA-N
Mol Weight 231.33 g/mol
Molecular Formula C9H13NO2S2
Exact Mass 231.038771 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4znM9bt12Hu
Name 2-(tert-Butylsulfanyl)-4-methyl-1,3-thiazole-5-carboxylic acid
Alternate Name(s) 2-(tert-butylthio)-4-methyl-5-thiazolecarboxylic acid 2-(tert-butylthio)-4-methyl-thiazole-5-carboxylic acid 2-tert-Butylsulfanyl-4-methyl-thiazole-5-carboxylic acid Thiazole-5-carboxylic acid, 2-tert-butylthio-4-methyl-
CAS Registry Number 312616-95-8
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C9H13NO2S2
InChI InChI=1S/C9H13NO2S2/c1-5-6(7(11)12)13-8(10-5)14-9(2,3)4/h1-4H3,(H,11,12)
InChIKey UWHOLKUHODSCAZ-UHFFFAOYSA-N
Molecular Weight 231.328 g/mol
SMILES OC(c1sc(SC(C)(C)C)nc1C)=O
SPLASH splash10-054o-9200000000-5511ff53d5276ce53826
Source of Spectrum AD-0-2532-0
Wiley ID 1420101