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2-Cyclohexen-1-one, 4-(benzoyloxy)-3-methyl-6-(1-methylethenyl)-, (4R-cis)-
SpectraBase Compound ID 936KB35oQTV
InChI InChI=1S/C17H18O3/c1-11(2)14-10-16(12(3)9-15(14)18)20-17(19)13-7-5-4-6-8-13/h4-9,14,16H,1,10H2,2-3H3/t14-,16-/m1/s1
InChIKey BESVEDRGRIBPGC-GDBMZVCRSA-N
Mol Weight 270.33 g/mol
Molecular Formula C17H18O3
Exact Mass 270.125594 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID IDlouGzfRX7
Name 2-Cyclohexen-1-one, 4-(benzoyloxy)-3-methyl-6-(1-methylethenyl)-, (4R-cis)-
Comments Computed using HOSE algorithm
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Exact Mass 270.125594437 u
Formula C17H18O3
InChI InChI=1S/C17H18O3/c1-11(2)14-10-16(12(3)9-15(14)18)20-17(19)13-7-5-4-6-8-13/h4-9,14,16H,1,10H2,2-3H3/t14-,16-/m1/s1
InChIKey BESVEDRGRIBPGC-GDBMZVCRSA-N
SMILES C1(C=C(C)[C@@](C[C@@]1(C(=C)C)[H])(OC(=O)C1=CC=CC=C1)[H])=O