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2-Pentanone, 1,1-bis(phenylthio)-

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2-Pentanone, 1,1-bis(phenylthio)-
SpectraBase Compound ID DXUc45Y2iFx
InChI InChI=1S/C17H18OS2/c1-2-9-16(18)17(19-14-10-5-3-6-11-14)20-15-12-7-4-8-13-15/h3-8,10-13,17H,2,9H2,1H3
InChIKey XCGADCGEIUQBMU-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 39ffzDVHOlx
Name 2-Pentanone, 1,1-bis(phenylthio)-
CAS Registry Number 111731-02-3
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H18OS2
InChI InChI=1S/C17H18OS2/c1-2-9-16(18)17(19-14-10-5-3-6-11-14)20-15-12-7-4-8-13-15/h3-8,10-13,17H,2,9H2,1H3
InChIKey XCGADCGEIUQBMU-UHFFFAOYSA-N
Molecular Weight 302.450 g/mol
SMILES C(Sc1ccccc1)(Sc1ccccc1)C(=O)CCC
SPLASH splash10-0089-4890000000-0ccc70b2a6862b9e3314
Source of Spectrum F-43-2480-3
Synonyms 1,1-bis(phenylsulfanyl)-2-pentanone 1,1-bis(phenylthio)-2-pentanone 1,1-bis(phenylthio)-pentan-2-one
Wiley ID 1304612