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(1R,4S)-2,2,4-trimethyl-8-phenyl-bicyclo[2.2.2]oct-7-ene-3,6-dione

View entire compound with spectra: 1 MS (GC)

(1R,4S)-2,2,4-trimethyl-8-phenyl-bicyclo[2.2.2]oct-7-ene-3,6-dione
SpectraBase Compound ID 4U6RspqkN6U
InChI InChI=1S/C17H18O2/c1-16(2)13-9-12(11-7-5-4-6-8-11)17(3,15(16)19)10-14(13)18/h4-9,13H,10H2,1-3H3/t13-,17-/m0/s1
InChIKey ZFRUHXRGVPILBT-GUYCJALGSA-N
Mol Weight 254.33 g/mol
Molecular Formula C17H18O2
Exact Mass 254.13068 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FsafDSOjaR5
Name (1R,4S)-2,2,4-trimethyl-8-phenyl-bicyclo[2.2.2]oct-7-ene-3,6-dione
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H18O2
InChI InChI=1S/C17H18O2/c1-16(2)13-9-12(11-7-5-4-6-8-11)17(3,15(16)19)10-14(13)18/h4-9,13H,10H2,1-3H3/t13-,17-/m0/s1
InChIKey ZFRUHXRGVPILBT-GUYCJALGSA-N
Molecular Weight 254.329 g/mol
SMILES [C@@]12(C(=C[C@](C(C2)=O)([H])C(C1=O)(C)C)c1ccccc1)C
SPLASH splash10-0lel-1920000000-20896c8163cd38d61341
Source of Spectrum F-68-6548-1
Synonyms (1R,4S)-2,2,4-trimethyl-8-phenyl-bicyclo[2.2.2]oct-7-ene-3,6-quinone
Wiley ID 1573179