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

View entire compound with spectra: 1 MS (GC)

(1S,4S,8R)-(1S,4S,8S)-8-Methoxy-1,8-dimethyl-6-(2-phenylethynyl)bicyclo[2.2.2]oct-5-en-2-one
SpectraBase Compound ID Sk5tHOhuXS
InChI InChI=1S/C19H20O2/c1-18-13-19(2,21-3)16(12-17(18)20)11-15(18)10-9-14-7-5-4-6-8-14/h4-8,11,16H,12-13H2,1-3H3/t16-,18+,19+/m1/s1
InChIKey SBMJMQYCWJTDHB-NEWSRXKRSA-N
Mol Weight 280.37 g/mol
Molecular Formula C19H20O2
Exact Mass 280.14633 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BGzeUrRyZYz
Name (1S,4S,8R)-(1S,4S,8S)-8-Methoxy-1,8-dimethyl-6-(2-phenylethynyl)bicyclo[2.2.2]oct-5-en-2-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C19H20O2
InChI InChI=1S/C19H20O2/c1-18-13-19(2,21-3)16(12-17(18)20)11-15(18)10-9-14-7-5-4-6-8-14/h4-8,11,16H,12-13H2,1-3H3/t16-,18+,19+/m1/s1
InChIKey SBMJMQYCWJTDHB-NEWSRXKRSA-N
Molecular Weight 280.367 g/mol
SMILES [C@]12(C(C#Cc3ccccc3)=C[C@]([C@](C1)(OC)C)([H])CC2=O)C
SPLASH splash10-0aor-0590000000-766c0673a9cda121b404
Source of Spectrum KC-0-1310-17
Synonyms (1S,4S,8S)-8-methoxy-1,8-dimethyl-6-(phenylethynyl)bicyclo[2.2.2]oct-5-en-2-one
Wiley ID 785900