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2-(Phenylseleno)-1-(p-toluenesulfonyl)-heptene
SpectraBase Compound ID LVEc4cE5WXb
InChI InChI=1S/C20H24O2SSe/c1-3-4-6-11-20(24-19-9-7-5-8-10-19)16-23(21,22)18-14-12-17(2)13-15-18/h5,7-10,12-16H,3-4,6,11H2,1-2H3/b20-16-
InChIKey BQPSIIANCASRGL-SILNSSARSA-N
Mol Weight 407.44 g/mol
Molecular Formula C20H24O2SSe
Exact Mass 408.066223 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2hPEP4ippBI
Name 2-(Phenylseleno)-1-(p-toluenesulfonyl)-heptene
Alternate Name(s) 1-Methyl-4-{[(1Z)-2-(phenylselanyl)-1-heptenyl]sulfonyl}benzene 2-(Phenylseleno)-1-[(p-tolyl)sulfonyl]-heptene 4-Methylphenyl (1Z)-2-(phenylselanyl)-1-heptenyl sulfone
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Formula C20H24O2SSe
InChI InChI=1S/C20H24O2SSe/c1-3-4-6-11-20(24-19-9-7-5-8-10-19)16-23(21,22)18-14-12-17(2)13-15-18/h5,7-10,12-16H,3-4,6,11H2,1-2H3/b20-16-
InChIKey BQPSIIANCASRGL-SILNSSARSA-N
Molecular Weight 407.442 g/mol
SMILES c1([Se]\C(=C/S(c2ccc(cc2)C)(=O)=O)CCCCC)ccccc1
SPLASH splash10-0a4m-9510000000-cbd3098d5fd40477d003
Source of Spectrum SK-32-1247-2
Wiley ID 1548724