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3-Methyl-4-phenyl-3-(phenylthio)-2-butanone
SpectraBase Compound ID 4OnREO0tTe7
InChI InChI=1S/C17H18OS/c1-14(18)17(2,13-15-9-5-3-6-10-15)19-16-11-7-4-8-12-16/h3-12H,13H2,1-2H3
InChIKey BEMOQMICQRTZPD-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 5xanAKK6s3r
Name 3-Methyl-4-phenyl-3-(phenylthio)-2-butanone
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H18OS
InChI InChI=1S/C17H18OS/c1-14(18)17(2,13-15-9-5-3-6-10-15)19-16-11-7-4-8-12-16/h3-12H,13H2,1-2H3
InChIKey BEMOQMICQRTZPD-UHFFFAOYSA-N
Molecular Weight 270.390 g/mol
SMILES C(Sc1ccccc1)(C(=O)C)(Cc1ccccc1)C
SPLASH splash10-004j-0890000000-ea4c103b8261bff6ab09
Source of Spectrum F-54-2804-12
Synonyms 3-Methyl-4-phenyl-3-(phenylthio)butan-2-one 3-Methyl-4-phenyl-3-phenylsulfanyl-butan-2-one
Wiley ID 806384