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Prop-2-ynyl 2-(diphenylsulfuranylidene)-3-oxo-3-p-tolylpropanoate
SpectraBase Compound ID GjUMx0f41BF
InChI InChI=1S/C25H20O3S/c1-3-18-28-25(27)24(23(26)20-16-14-19(2)15-17-20)29(21-10-6-4-7-11-21)22-12-8-5-9-13-22/h1,4-17H,18H2,2H3
InChIKey NIEYQYVQRWQTJF-UHFFFAOYSA-N
Mol Weight 400.49 g/mol
Molecular Formula C25H20O3S
Exact Mass 400.113316 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6flYEICAg95
Name Prop-2-ynyl 2-(diphenylsulfuranylidene)-3-oxo-3-p-tolylpropanoate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C25H20O3S
InChI InChI=1S/C25H20O3S/c1-3-18-28-25(27)24(23(26)20-16-14-19(2)15-17-20)29(21-10-6-4-7-11-21)22-12-8-5-9-13-22/h1,4-17H,18H2,2H3
InChIKey NIEYQYVQRWQTJF-UHFFFAOYSA-N
Literature Reference DOI 10.1002/anie.201203637
Molecular Weight 400.492 g/mol
SMILES c1(C(C(=S(c2ccccc2)c2ccccc2)C(OCC#C)=O)=O)ccc(cc1)C
SPLASH splash10-014r-0910100000-aa32892019610769c753
Source of Spectrum ACI-51-SMS5-1f
Synonyms Prop-2-yn-1-yl 2-(diphenyl-lambda4-sulfaneylidene)-3-oxo-3-(p-tolyl)propanoate
Wiley ID 1780430