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Butanedioic acid, [(4-methyl-2-phenyl-5-thiazolyl)thio]-, 1-methyl ester
SpectraBase Compound ID ACcluT21x5J
InChI InChI=1S/C15H15NO4S2/c1-9-15(21-11(8-12(17)18)14(19)20-2)22-13(16-9)10-6-4-3-5-7-10/h3-7,11H,8H2,1-2H3,(H,17,18)
InChIKey KHIHLWZMRIOWOJ-UHFFFAOYSA-N
Mol Weight 337.41 g/mol
Molecular Formula C15H15NO4S2
Exact Mass 337.04425 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4cbZDprM2XN
Name Butanedioic acid, [(4-methyl-2-phenyl-5-thiazolyl)thio]-, 1-methyl ester
CAS Registry Number 60026-83-7
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C15H15NO4S2
InChI InChI=1S/C15H15NO4S2/c1-9-15(21-11(8-12(17)18)14(19)20-2)22-13(16-9)10-6-4-3-5-7-10/h3-7,11H,8H2,1-2H3,(H,17,18)
InChIKey KHIHLWZMRIOWOJ-UHFFFAOYSA-N
Molecular Weight 337.408 g/mol
SMILES OC(CC(Sc1sc(-c2ccccc2)nc1C)C(=O)OC)=O
SPLASH splash10-0k9i-0957000000-d405e083865bf9008b89
Source of Spectrum F-32-584-0
Synonyms 4-Methoxy-3-[(4-methyl-2-phenyl-1,3-thiazol-5-yl)sulfanyl]-4-oxobutanoic acid Methyl 2-(5-methyl-2-phenyl thiazol-4-ylthio)-1,3-propane diol
Wiley ID 1332944