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(1S,2R,4S)-2-methoxy-2,4-dimethyl-5-(4-methylphenyl)-8-bicyclo[2.2.2]oct-5-enone
SpectraBase Compound ID 56eqfqfcYkX
InChI InChI=1S/C18H22O2/c1-12-5-7-13(8-6-12)15-9-14-10-16(19)17(15,2)11-18(14,3)20-4/h5-9,14H,10-11H2,1-4H3/t14-,17+,18-/m1/s1
InChIKey KNUBXDBFEZEALK-FHLIZLRMSA-N
Mol Weight 270.37 g/mol
Molecular Formula C18H22O2
Exact Mass 270.16198 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8uYi73JfEb8
Name (1S,2R,4S)-2-methoxy-2,4-dimethyl-5-(4-methylphenyl)-8-bicyclo[2.2.2]oct-5-enone
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Formula C18H22O2
InChI InChI=1S/C18H22O2/c1-12-5-7-13(8-6-12)15-9-14-10-16(19)17(15,2)11-18(14,3)20-4/h5-9,14H,10-11H2,1-4H3/t14-,17+,18-/m1/s1
InChIKey KNUBXDBFEZEALK-FHLIZLRMSA-N
Molecular Weight 270.372 g/mol
SMILES [C@@]12(C(=C[C@]([C@@](C2)(OC)C)([H])CC1=O)c1ccc(cc1)C)C
SPLASH splash10-000t-0910000000-efc7f7046b0746388d37
Source of Spectrum KC-0-1308-16
Synonyms (1S,2R,4S)-2-methoxy-2,4-dimethyl-5-(4-methylphenyl)bicyclo[2.2.2]oct-5-en-8-one (1S,2R,4S)-2-methoxy-2,4-dimethyl-5-(p-tolyl)bicyclo[2.2.2]oct-5-en-8-one
Wiley ID 785909