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5-Thiazolecarboxylic acid, 2-phenyl-4-[(phenylthio)methyl]-, ethyl ester
SpectraBase Compound ID 8hhjE1e5Uh3
InChI InChI=1S/C19H17NO2S2/c1-2-22-19(21)17-16(13-23-15-11-7-4-8-12-15)20-18(24-17)14-9-5-3-6-10-14/h3-12H,2,13H2,1H3
InChIKey VOJCBUPZGWMGHQ-UHFFFAOYSA-N
Mol Weight 355.47 g/mol
Molecular Formula C19H17NO2S2
Exact Mass 355.070071 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1B4b40L4nXt
Name 5-Thiazolecarboxylic acid, 2-phenyl-4-[(phenylthio)methyl]-, ethyl ester
CAS Registry Number 79116-13-5
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C19H17NO2S2
InChI InChI=1S/C19H17NO2S2/c1-2-22-19(21)17-16(13-23-15-11-7-4-8-12-15)20-18(24-17)14-9-5-3-6-10-14/h3-12H,2,13H2,1H3
InChIKey VOJCBUPZGWMGHQ-UHFFFAOYSA-N
Molecular Weight 355.470 g/mol
SMILES c1(sc(-c2ccccc2)nc1CSc1ccccc1)C(=O)OCC
SPLASH splash10-0aos-1169000000-78f5df5c33c9623944d2
Source of Spectrum Y-18-792-0
Synonyms 2-Phenyl-4-[(phenylthio)methyl]-5-thiazolecarboxylic acid ethyl ester 2-Phenyl-4-[(phenylthio)methyl]thiazole-5-carboxylic acid ethyl ester Ethyl 2-phenyl-4-(phenylsulfanylmethyl)thiazole-5-carboxylate
Wiley ID 1345203