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1-Phenyl-3-(2-thienyl)propan-1-one

View entire compound with spectra: 4 MS (GC)

1-Phenyl-3-(2-thienyl)propan-1-one
SpectraBase Compound ID 2H1OtzaBDpR
InChI InChI=1S/C13H12OS/c14-13(11-5-2-1-3-6-11)9-8-12-7-4-10-15-12/h1-7,10H,8-9H2
InChIKey JJFFOBOHMGOFJM-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 BqM5g0xJH2f
Name 1-Phenyl-3-(2-thienyl)propan-1-one
Alternate Name(s) 1-Phenyl-3-thiophen-2-yl-propan-1-one 1-Phenyl-3-thiophen-2-yl-1-propanone 1-Phenyl-3-(thiophen-2-yl)propan-1-one 1-Phenyl-3-thiophen-2-ylpropan-1-one
CAS Registry Number 71777-98-5
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H12OS
InChI InChI=1S/C13H12OS/c14-13(11-5-2-1-3-6-11)9-8-12-7-4-10-15-12/h1-7,10H,8-9H2
InChIKey JJFFOBOHMGOFJM-UHFFFAOYSA-N
Literature Reference DOI 10.1039/c4ra04777j
Molecular Weight 216.298 g/mol
SMILES c1(sccc1)CCC(c1ccccc1)=O
SPLASH splash10-0cfs-9830000000-3dbf3af60952d4033e7a
Source of Spectrum RSA-4-32834/SM-Table2,entry8
Wiley ID 1751469