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Butanedioic acid, [(4-methyl-2-phenyl-5-thiazolyl)thio]-, dimethyl ester
SpectraBase Compound ID BDru89gmigO
InChI InChI=1S/C16H17NO4S2/c1-10-16(22-12(15(19)21-3)9-13(18)20-2)23-14(17-10)11-7-5-4-6-8-11/h4-8,12H,9H2,1-3H3
InChIKey HACIZQDUGFMENK-UHFFFAOYSA-N
Mol Weight 351.44 g/mol
Molecular Formula C16H17NO4S2
Exact Mass 351.0599 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HelOqWshtMe
Name Butanedioic acid, [(4-methyl-2-phenyl-5-thiazolyl)thio]-, dimethyl ester
CAS Registry Number 60026-85-9
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H17NO4S2
InChI InChI=1S/C16H17NO4S2/c1-10-16(22-12(15(19)21-3)9-13(18)20-2)23-14(17-10)11-7-5-4-6-8-11/h4-8,12H,9H2,1-3H3
InChIKey HACIZQDUGFMENK-UHFFFAOYSA-N
Molecular Weight 351.435 g/mol
SMILES c1(sc(-c2ccccc2)nc1C)SC(CC(=O)OC)C(=O)OC
SPLASH splash10-0udi-0935000000-b47df0b32a22ac4708cf
Source of Spectrum F-32-584-0
Synonyms Dimethyl 2-(5-methyl-2-phenyl thiazol-4-ylthio)-1,3-propanediol Dimethyl 2-[(4-methyl-2-phenyl-1,3-thiazol-5-yl)sulfanyl]succinate
Wiley ID 1342479