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Benzene, [[1-methyl-3-(2,6,6-trimethyl-1-cyclohexen-1-yl)-2-propenyl]sulfonyl]
SpectraBase Compound ID 9piH8Pf5Tls
InChI InChI=1S/C19H26O2S/c1-15-9-8-14-19(3,4)18(15)13-12-16(2)22(20,21)17-10-6-5-7-11-17/h5-7,10-13,16H,8-9,14H2,1-4H3/b13-12+
InChIKey GRWORSGBBCUYCO-OUKQBFOZSA-N
Mol Weight 318.48 g/mol
Molecular Formula C19H26O2S
Exact Mass 318.165351 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID BU8Tg9u6AzO
Name Benzene, [[1-methyl-3-(2,6,6-trimethyl-1-cyclohexen-1-yl)-2-propenyl]sulfonyl]
Comments Computed using HOSE algorithm
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Exact Mass 318.165351249 u
Formula C19H26O2S
InChI InChI=1S/C19H26O2S/c1-15-9-8-14-19(3,4)18(15)13-12-16(2)22(20,21)17-10-6-5-7-11-17/h5-7,10-13,16H,8-9,14H2,1-4H3/b13-12+
InChIKey GRWORSGBBCUYCO-OUKQBFOZSA-N
Molecular Weight 318.475 g/mol
SMILES C(S(=O)(=O)C=1C=CC=CC1)(\C=C\C1=C(CCCC1(C)C)C)C