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Benzene, 1-methyl-4-[[4-phenyl-1-[2-(phenylseleno)ethyl]-1-butenyl]sulfonyl]-, (E)-
SpectraBase Compound ID DuDsyuLszb
InChI InChI=1S/C25H26O2SSe/c1-21-15-17-24(18-16-21)28(26,27)23(12-8-11-22-9-4-2-5-10-22)19-20-29-25-13-6-3-7-14-25/h2-7,9-10,12-18H,8,11,19-20H2,1H3/b23-12+
InChIKey VLNRVCOAKOCSDU-FSJBWODESA-N
Mol Weight 469.51 g/mol
Molecular Formula C25H26O2SSe
Exact Mass 470.081873 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID GefgfEOOmOC
Name Benzene, 1-methyl-4-[[4-phenyl-1-[2-(phenylseleno)ethyl]-1-butenyl]sulfonyl]-, (E)-
Comments Computed using HOSE algorithm
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Exact Mass 470.081873249 u
Formula C25H26O2SSe
InChI InChI=1S/C25H26O2SSe/c1-21-15-17-24(18-16-21)28(26,27)23(12-8-11-22-9-4-2-5-10-22)19-20-29-25-13-6-3-7-14-25/h2-7,9-10,12-18H,8,11,19-20H2,1H3/b23-12+
InChIKey VLNRVCOAKOCSDU-FSJBWODESA-N
Molecular Weight 469.513 g/mol
SMILES C(\C=C/(S(C1=CC=C(C=C1)C)(=O)=O)CC[Se]C=1C=CC=CC1)CC1=CC=CC=C1