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3-Phenyl-1-(2-thienyl)propan-1-one
SpectraBase Compound ID jbCkdTLqd
InChI InChI=1S/C13H12OS/c14-12(13-7-4-10-15-13)9-8-11-5-2-1-3-6-11/h1-7,10H,8-9H2
InChIKey SWZHQIGKXCTPMK-UHFFFAOYSA-N
Mol Weight 216.3 g/mol
Molecular Formula C13H12OS
Exact Mass 216.060886 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Gc5rTGZtQ6M
Name 3-Phenyl-1-(thiophen-2-yl)propan-1-one
Appearance Slightly yellow oil
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 216.060886179 u
Formula C13H12OS
GC Column HP-5
InChI InChI=1S/C13H12OS/c14-12(13-7-4-10-15-13)9-8-11-5-2-1-3-6-11/h1-7,10H,8-9H2
InChIKey SWZHQIGKXCTPMK-UHFFFAOYSA-N
Instrument Name HP 6890N
Ionization Type EI
Literature Reference DOI 10.1002/anie.201607072
Molecular Weight 216.298 g/mol
Quality 156
Reported Formula C13H12OS
SMILES C1(=CC=CC=C1)CCC(=O)C=1SC=CC1
SPLASH splash10-03xr-2960000000-5683664f364cbf6ff922
Source of Spectrum ACI-55-SM5-6h (DOI: 10.1002/anie.201607072)
Wiley ID 1899291