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3,4-Thiophenedicarboxylic acid, 2-phenyl-5-(2-propenylthio)-, dimethyl ester
SpectraBase Compound ID ECQq5Spd7g8
InChI InChI=1S/C17H16O4S2/c1-4-10-22-17-13(16(19)21-3)12(15(18)20-2)14(23-17)11-8-6-5-7-9-11/h4-9H,1,10H2,2-3H3
InChIKey IBZWIJOYWQSLML-UHFFFAOYSA-N
Mol Weight 348.43 g/mol
Molecular Formula C17H16O4S2
Exact Mass 348.049001 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID AuYUlxGqwIy
Name 3,4-Thiophenedicarboxylic acid, 2-phenyl-5-(2-propenylthio)-, dimethyl ester
CAS Registry Number 66927-68-2
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H16O4S2
InChI InChI=1S/C17H16O4S2/c1-4-10-22-17-13(16(19)21-3)12(15(18)20-2)14(23-17)11-8-6-5-7-9-11/h4-9H,1,10H2,2-3H3
InChIKey IBZWIJOYWQSLML-UHFFFAOYSA-N
Molecular Weight 348.431 g/mol
SMILES COC(c1c(c(sc1-c1ccccc1)SCC=C)C(=O)OC)=O
SPLASH splash10-05mk-0259000000-9afe17fa3094036988c1
Source of Spectrum K-112-1657-0
Synonyms Dimethyl 2-(allylsulfanyl)-5-phenyl-3,4-thiophenedicarboxylate 2-(allylthio)-5-phenyl-thiophene-3,4-dicarboxylic acid dimethyl ester 2-Phenyl-5-(prop-2-enylthio)thiophene-3,4-dicarboxylic acid dimethyl ester Dimethyl 2-allylsulfanyl-5-phenyl-thiophene-3,4-dicarboxylate Dimethyl 2-phenyl-5-prop-2-enylsulfanyl-thiophene-3,4-dicarboxylate
Wiley ID 1340439