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3,3-bis(phenylthio)pentan-2-one

View entire compound with spectra: 1 MS (GC)

3,3-bis(phenylthio)pentan-2-one
SpectraBase Compound ID LPAtJyAUmEW
InChI InChI=1S/C17H18OS2/c1-3-17(14(2)18,19-15-10-6-4-7-11-15)20-16-12-8-5-9-13-16/h4-13H,3H2,1-2H3
InChIKey PZARXSLRTKGYCW-UHFFFAOYSA-N
Mol Weight 302.45 g/mol
Molecular Formula C17H18OS2
Exact Mass 302.079908 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2wkXxWoXwW
Name 3,3-bis(phenylthio)pentan-2-one
Alternate Name(s) 3,3-bis(phenylsulfanyl)-2-pentanone
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H18OS2
InChI InChI=1S/C17H18OS2/c1-3-17(14(2)18,19-15-10-6-4-7-11-15)20-16-12-8-5-9-13-16/h4-13H,3H2,1-2H3
InChIKey PZARXSLRTKGYCW-UHFFFAOYSA-N
Molecular Weight 302.450 g/mol
SMILES C(Sc1ccccc1)(Sc1ccccc1)(C(=O)C)CC
SPLASH splash10-0006-7930000000-ec04203d4c092f736f1d
Source of Spectrum KC-1978-1082-0
Wiley ID 1304608