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3-Phenyl-1-(2-thienyl)prop-2-yn-1-one
SpectraBase Compound ID 2bkKAxyCzPX
InChI InChI=1S/C13H8OS/c14-12(13-7-4-10-15-13)9-8-11-5-2-1-3-6-11/h1-7,10H
InChIKey VFERYRUDILHJRR-UHFFFAOYSA-N
Mol Weight 212.27 g/mol
Molecular Formula C13H8OS
Exact Mass 212.029586 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9Qh2wjW36uv
Name 3-Phenyl-1-(thiophen-2-yl)prop-2-yn-1-one
Appearance Light orange solid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H8OS
InChI InChI=1S/C13H8OS/c14-12(13-7-4-10-15-13)9-8-11-5-2-1-3-6-11/h1-7,10H
InChIKey VFERYRUDILHJRR-UHFFFAOYSA-N
Instrument Name Finnigan MAT TSQ 7000
Ionization Type EI
Literature Reference DOI 10.3762/bjoc.15.262
Molecular Weight 212.266 g/mol
SMILES c1(C(=O)C#Cc2ccccc2)cccs1
SPLASH splash10-01si-0920000000-2cd0eb4bb73d0fe79422
Source of Spectrum BJO-15-SM9-3n
Thin-Layer Chromatography Rf = 0.18 (n-hexane/EtOAc, 20:1)
Wiley ID 1840968