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2-isopropyl-4-methylthiazole-5-carboxylic acid
SpectraBase Compound ID BXxpDVKGVjw
InChI InChI=1S/C8H11NO2S/c1-4(2)7-9-5(3)6(12-7)8(10)11/h4H,1-3H3,(H,10,11)
InChIKey MLCHZLUFNGBRSL-UHFFFAOYSA-N
Mol Weight 185.24 g/mol
Molecular Formula C8H11NO2S
Exact Mass 185.05105 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KSqMOWEq0OT
Name 2-isopropyl-4-methylthiazole-5-carboxylic acid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C8H11NO2S
InChI InChI=1S/C8H11NO2S/c1-4(2)7-9-5(3)6(12-7)8(10)11/h4H,1-3H3,(H,10,11)
InChIKey MLCHZLUFNGBRSL-UHFFFAOYSA-N
Molecular Weight 185.241 g/mol
SMILES OC(c1sc(C(C)C)nc1C)=O
SPLASH splash10-00di-0900000000-706332a76303e7bbb8f9
Source of Spectrum KC-1991-2422-15
Synonyms 2-isopropyl-4-methyl-1,3-thiazole-5-carboxylic acid 4-Methyl-2-propan-2-yl-1,3-thiazole-5-carboxylic acid 4-Methyl-2-propan-2-yl-5-thiazolecarboxylic acid
Wiley ID 1181742