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(1S,4S,8R)-(1S,4S,8S)-8-Methoxy-1,8-dimethyl-6-(4-methoxyphenyl)bicyclo[2.2.2]oct-5-en-2-one

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(1S,4S,8R)-(1S,4S,8S)-8-Methoxy-1,8-dimethyl-6-(4-methoxyphenyl)bicyclo[2.2.2]oct-5-en-2-one
SpectraBase Compound ID FVPpNDsVKlK
InChI InChI=1S/C18H22O3/c1-17-11-18(2,21-4)13(10-16(17)19)9-15(17)12-5-7-14(20-3)8-6-12/h5-9,13H,10-11H2,1-4H3/t13-,17+,18+/m1/s1
InChIKey GMGQDESMGUFHPR-BVGQSLNGSA-N
Mol Weight 286.37 g/mol
Molecular Formula C18H22O3
Exact Mass 286.156895 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID IDDn7PSLUU1
Name (1S,4S,8R)-(1S,4S,8S)-8-Methoxy-1,8-dimethyl-6-(4-methoxyphenyl)bicyclo[2.2.2]oct-5-en-2-one
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 286.156894565 u
Formula C18H22O3
InChI InChI=1S/C18H22O3/c1-17-11-18(2,21-4)13(10-16(17)19)9-15(17)12-5-7-14(20-3)8-6-12/h5-9,13H,10-11H2,1-4H3/t13-,17+,18+/m1/s1
InChIKey GMGQDESMGUFHPR-BVGQSLNGSA-N
SMILES [C@@]12(C(=C[C@]([C@](C2)(OC)C)([H])CC1=O)C=1C=CC(=CC1)OC)C