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(E)-5-Benzylthio-2-methyl-2-tosyl-3-hexene
SpectraBase Compound ID HEG9aWoY9Oy
InChI InChI=1S/C21H26O2S2/c1-17-10-12-20(13-11-17)25(22,23)21(3,4)15-14-18(2)24-16-19-8-6-5-7-9-19/h5-15,18H,16H2,1-4H3/b15-14+
InChIKey BDHPWOZLUDJNEC-CCEZHUSRSA-N
Mol Weight 374.56 g/mol
Molecular Formula C21H26O2S2
Exact Mass 374.137422 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID EnExiuo8LYo
Name (E)-5-Benzylthio-2-methyl-2-tosyl-3-hexene
Alternate Name(s) (2E)-4-(benzylsulfanyl)-1,1-dimethyl-2-pentenyl 4-methylphenyl sulfone 1-{[(2E)-4-(benzylsulfanyl)-1,1-dimethyl-2-pentenyl]sulfonyl}-4-methylbenzene
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Formula C21H26O2S2
InChI InChI=1S/C21H26O2S2/c1-17-10-12-20(13-11-17)25(22,23)21(3,4)15-14-18(2)24-16-19-8-6-5-7-9-19/h5-15,18H,16H2,1-4H3/b15-14+
InChIKey BDHPWOZLUDJNEC-CCEZHUSRSA-N
Molecular Weight 374.557 g/mol
SMILES C(S(c1ccc(cc1)C)(=O)=O)(\C=C\C(SCc1ccccc1)C)(C)C
SPLASH splash10-00kg-9030000000-2f4cafae2ea27c71f2ee
Source of Spectrum AJ-70-393-20
Wiley ID 774037