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2-Pentanone, 5-phenyl-3-(phenylthio)-
SpectraBase Compound ID 2QqNh24V9EB
InChI InChI=1S/C17H18OS/c1-14(18)17(19-16-10-6-3-7-11-16)13-12-15-8-4-2-5-9-15/h2-11,17H,12-13H2,1H3
InChIKey QIFQIXWKSPAQKS-UHFFFAOYSA-N
Mol Weight 270.39 g/mol
Molecular Formula C17H18OS
Exact Mass 270.107836 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3MEm0xI3yNi
Name 2-Pentanone, 5-phenyl-3-(phenylthio)-
CAS Registry Number 111036-67-0
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H18OS
InChI InChI=1S/C17H18OS/c1-14(18)17(19-16-10-6-3-7-11-16)13-12-15-8-4-2-5-9-15/h2-11,17H,12-13H2,1H3
InChIKey QIFQIXWKSPAQKS-UHFFFAOYSA-N
Molecular Weight 270.390 g/mol
SMILES C(Sc1ccccc1)(C(=O)C)CCc1ccccc1
SPLASH splash10-014i-0920000000-1075f93be2454493bf48
Source of Spectrum AJ-60-1845-27
Synonyms 5-Phenyl-3-(phenylsulfanyl)-2-pentanone 5-Phenyl-3-penten-2-one
Wiley ID 1274541