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1,4-bis(Phenylsulfanyl)pentan-2-one
SpectraBase Compound ID 70IX3QcHDzA
InChI InChI=1S/C17H18OS2/c1-14(20-17-10-6-3-7-11-17)12-15(18)13-19-16-8-4-2-5-9-16/h2-11,14H,12-13H2,1H3
InChIKey NXMPJECWHBBKNM-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 CR4hIajZG6g
Name 1,4-bis(phenylsulfanyl)pentan-2-one
CAS Registry Number 88130-69-2
Comments Less than 3 mono-isotopic peaks
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Formula C17H18OS2
InChI InChI=1S/C17H18OS2/c1-14(20-17-10-6-3-7-11-17)12-15(18)13-19-16-8-4-2-5-9-16/h2-11,14H,12-13H2,1H3
InChIKey NXMPJECWHBBKNM-UHFFFAOYSA-N
Molecular Weight 302.450 g/mol
SMILES C(Sc1ccccc1)(CC(=O)CSc1ccccc1)C
SPLASH splash10-0006-0904000000-e043678b78910cdbbdae
Source of Spectrum J-49-607-0
Synonyms 1,4-bis(phenylthio)-2-pentanone
Wiley ID 1304610