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Benzene, [[2-methyl-1-(phenylsulfinyl)propyl]thio]-
SpectraBase Compound ID GC5Hcx1gKvH
InChI InChI=1S/C16H18OS2/c1-13(2)16(18-14-9-5-3-6-10-14)19(17)15-11-7-4-8-12-15/h3-13,16H,1-2H3
InChIKey LREJXNAKEDURAL-UHFFFAOYSA-N
Mol Weight 290.44 g/mol
Molecular Formula C16H18OS2
Exact Mass 290.079908 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1vsOqa0x2Yy
Name Benzene, [[2-methyl-1-(phenylsulfinyl)propyl]thio]-
Alternate Name(s) 2-methyl-1-(phenylsulfanyl)propyl phenyl sulfoxide 2-Methyl-1-phenylsulphinyl-1-phenylthiopropane {[2-methyl-1-(phenylsulfanyl)propyl]sulfinyl}benzene
CAS Registry Number 108378-39-8
Comments Less than 3 mono-isotopic peaks
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Formula C16H18OS2
InChI InChI=1S/C16H18OS2/c1-13(2)16(18-14-9-5-3-6-10-14)19(17)15-11-7-4-8-12-15/h3-13,16H,1-2H3
InChIKey LREJXNAKEDURAL-UHFFFAOYSA-N
Molecular Weight 290.439 g/mol
SMILES C(S(=O)c1ccccc1)(Sc1ccccc1)C(C)C
SPLASH splash10-03xr-0900000000-b4e127e3058a8b5716e6
Source of Spectrum KC-1986-1703-0
Wiley ID 1293519