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4-Phenyl-1-(thiophen-2-yl)but-3-yne-1,2-dione

View entire compound with spectra: 1 MS (GC)

4-Phenyl-1-(thiophen-2-yl)but-3-yne-1,2-dione
SpectraBase Compound ID 3feNrELTsGo
InChI InChI=1S/C14H8O2S/c15-12(14(16)13-7-4-10-17-13)9-8-11-5-2-1-3-6-11/h1-7,10H
InChIKey FTWGUKGIWNNHBN-UHFFFAOYSA-N
Mol Weight 240.28 g/mol
Molecular Formula C14H8O2S
Exact Mass 240.024501 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KE2le8nKwQt
Name 4-Phenyl-1-(thiophen-2-yl)but-3-yne-1,2-dione
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H8O2S
InChI InChI=1S/C14H8O2S/c15-12(14(16)13-7-4-10-17-13)9-8-11-5-2-1-3-6-11/h1-7,10H
InChIKey FTWGUKGIWNNHBN-UHFFFAOYSA-N
Literature Reference DOI 10.1002/anie.201103296
Molecular Weight 240.276 g/mol
SMILES c1(C(C(=O)C#Cc2ccccc2)=O)cccs1
SPLASH splash10-01t9-0900000000-ae35188ec62144610454
Source of Spectrum ACI-50-SM11-3d
Wiley ID 1780003