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1-[2-(Benzylthio)phenyl]-3-phenylprop-2-yn-1-one
SpectraBase Compound ID L8QcHmSKS6B
InChI InChI=1S/C22H16OS/c23-21(16-15-18-9-3-1-4-10-18)20-13-7-8-14-22(20)24-17-19-11-5-2-6-12-19/h1-14H,17H2
InChIKey RMYFXXGQEIFMGP-UHFFFAOYSA-N
Mol Weight 328.43 g/mol
Molecular Formula C22H16OS
Exact Mass 328.092186 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2OQQYO0S3nl
Name 1-[2-(Benzylthio)phenyl]-3-phenylprop-2-yn-1-one
Appearance Yellow oil
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 328.092186308 u
Formula C22H16OS
InChI InChI=1S/C22H16OS/c23-21(16-15-18-9-3-1-4-10-18)20-13-7-8-14-22(20)24-17-19-11-5-2-6-12-19/h1-14H,17H2
InChIKey RMYFXXGQEIFMGP-UHFFFAOYSA-N
Instrument Name Shimadzu GC-MS-QP2010
Ionization Type EI
Literature Reference DOI 10.1002/cctc.202201557
Molecular Weight 328.429 g/mol
Quality 25
Reported Formula C22H16OS
SMILES C=1C=CC(=C(C(C#CC2=CC=CC=C2)=O)C1)SCC1=CC=CC=C1
SPLASH splash10-000i-0090000000-dfa3c4a535efdbb76c2f
Source of Spectrum CCC-15-SM7-1g (DOI: 10.1002/cctc.202201557)
Wiley ID 1910135