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Benzene, 1-[[2-(2-cyclohexen-1-ylidene)propyl]sulfonyl]-4-methyl-, (Z)-
SpectraBase Compound ID INe78eaNRja
InChI InChI=1S/C16H20O2S/c1-13-8-10-16(11-9-13)19(17,18)12-14(2)15-6-4-3-5-7-15/h4,6,8-11H,3,5,7,12H2,1-2H3/b15-14+
InChIKey BEHJZUDSSJAIRF-CCEZHUSRSA-N
Mol Weight 276.39 g/mol
Molecular Formula C16H20O2S
Exact Mass 276.118401 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 4FJ2gZoHiHO
Name Benzene, 1-[[2-(2-cyclohexen-1-ylidene)propyl]sulfonyl]-4-methyl-, (Z)-
Comments Computed using HOSE algorithm
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Exact Mass 276.118401056 u
Formula C16H20O2S
InChI InChI=1S/C16H20O2S/c1-13-8-10-16(11-9-13)19(17,18)12-14(2)15-6-4-3-5-7-15/h4,6,8-11H,3,5,7,12H2,1-2H3/b15-14+
InChIKey BEHJZUDSSJAIRF-CCEZHUSRSA-N
Molecular Weight 276.394 g/mol
SMILES C(S(C1=CC=C(C=C1)C)(=O)=O)\C(=C/1C=CCCC1)C