For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.
Pent-4-ynyl 2-(diphenylsulfuranylidene)-3-oxobutanoate
SpectraBase Compound ID M2qbR3DyRq
InChI InChI=1S/C21H20O3S/c1-3-4-11-16-24-21(23)20(17(2)22)25(18-12-7-5-8-13-18)19-14-9-6-10-15-19/h1,5-10,12-15H,4,11,16H2,2H3
InChIKey LHPIBCKKVXNXAQ-UHFFFAOYSA-N
Mol Weight 352.45 g/mol
Molecular Formula C21H20O3S
Exact Mass 352.113316 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID 3xmzoSTAFIk
Name Pent-4-ynyl 2-(diphenylsulfuranylidene)-3-oxobutanoate
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H20O3S
InChI InChI=1S/C21H20O3S/c1-3-4-11-16-24-21(23)20(17(2)22)25(18-12-7-5-8-13-18)19-14-9-6-10-15-19/h1,5-10,12-15H,4,11,16H2,2H3
InChIKey LHPIBCKKVXNXAQ-UHFFFAOYSA-N
Literature Reference DOI 10.1002/anie.201203637
Molecular Weight 352.448 g/mol
SMILES CC(=O)C(=S(c1ccccc1)c1ccccc1)C(OCCCC#C)=O
SPLASH splash10-0f79-2927000000-90bd89f7059ec16d85e2
Source of Spectrum ACI-51-SMS6-1j
Synonyms Pent-4-yn-1-yl 2-(diphenyl-lambda4-sulfaneylidene)-3-oxobutanoate
Wiley ID 1780433