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(1S,2R,4S)-2-methoxy-2,4-dimethyl-5-phenyl-8-bicyclo[2.2.2]oct-5-enone
SpectraBase Compound ID 1NNp44MFhtX
InChI InChI=1S/C17H20O2/c1-16-11-17(2,19-3)13(10-15(16)18)9-14(16)12-7-5-4-6-8-12/h4-9,13H,10-11H2,1-3H3/t13-,16+,17+/m0/s1
InChIKey HBFRDHLARUIEHJ-IAOVAPTHSA-N
Mol Weight 256.34 g/mol
Molecular Formula C17H20O2
Exact Mass 256.14633 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID AQ9IfK7kyzN
Name (1S,2R,4S)-2-methoxy-2,4-dimethyl-5-phenyl-8-bicyclo[2.2.2]oct-5-enone
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Formula C17H20O2
InChI InChI=1S/C17H20O2/c1-16-11-17(2,19-3)13(10-15(16)18)9-14(16)12-7-5-4-6-8-12/h4-9,13H,10-11H2,1-3H3/t13-,16+,17+/m0/s1
InChIKey HBFRDHLARUIEHJ-IAOVAPTHSA-N
Molecular Weight 256.345 g/mol
SMILES [C@]12(C(=C[C@@]([C@@](C2)(OC)C)([H])CC1=O)c1ccccc1)C
SPLASH splash10-001i-0910000000-2d9e0191255bc70d4a7e
Source of Spectrum J-58-2513-13
Synonyms (1S,2R,4S)-2-methoxy-2,4-dimethyl-5-phenyl-bicyclo[2.2.2]oct-5-en-8-one
Wiley ID 1260295