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2-Butanone, 1-phenyl-, diphenyl mercaptole
SpectraBase Compound ID 3p2SaI3fzkB
InChI InChI=1S/C22H22S2/c1-2-22(18-19-12-6-3-7-13-19,23-20-14-8-4-9-15-20)24-21-16-10-5-11-17-21/h3-17H,2,18H2,1H3
InChIKey FENRHEMIEKHCMB-UHFFFAOYSA-N
Mol Weight 350.54 g/mol
Molecular Formula C22H22S2
Exact Mass 350.116293 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GVcK36POJ4W
Name 2-Butanone, 1-phenyl-, diphenyl mercaptole
Alternate Name(s) Benzene, 1,1'-[[1-(phenylmethyl)propylidene]bis(thio)]bis- 2,2-bis(phenylthio)-1-phenylbutane {[1-benzyl-1-(phenylsulfanyl)propyl]sulfanyl}benzene
CAS Registry Number 77815-66-8
Comments Less than 3 mono-isotopic peaks
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Formula C22H22S2
InChI InChI=1S/C22H22S2/c1-2-22(18-19-12-6-3-7-13-19,23-20-14-8-4-9-15-20)24-21-16-10-5-11-17-21/h3-17H,2,18H2,1H3
InChIKey FENRHEMIEKHCMB-UHFFFAOYSA-N
Molecular Weight 350.538 g/mol
SMILES C(Sc1ccccc1)(Sc1ccccc1)(Cc1ccccc1)CC
SPLASH splash10-01ox-0790000000-13c66e2a07c1bbef97a4
Source of Spectrum KC-1986-187-0
Wiley ID 1342210