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(5R*,6S*)-6-Ethyl-3-phenyl-5-benzoylcyclohex-2-en-1-one
SpectraBase Compound ID LU55OYNk2Y9
InChI InChI=1S/C21H20O2/c1-2-18-19(21(23)16-11-7-4-8-12-16)13-17(14-20(18)22)15-9-5-3-6-10-15/h3-12,14,18-19H,2,13H2,1H3/t18-,19+/m0/s1
InChIKey JRZLSZBTAKPHPZ-RBUKOAKNSA-N
Mol Weight 304.39 g/mol
Molecular Formula C21H20O2
Exact Mass 304.14633 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6HmcXFkkSnu
Name (5R*,6S*)-6-Ethyl-3-phenyl-5-benzoylcyclohex-2-en-1-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H20O2
InChI InChI=1S/C21H20O2/c1-2-18-19(21(23)16-11-7-4-8-12-16)13-17(14-20(18)22)15-9-5-3-6-10-15/h3-12,14,18-19H,2,13H2,1H3/t18-,19+/m0/s1
InChIKey JRZLSZBTAKPHPZ-RBUKOAKNSA-N
Molecular Weight 304.389 g/mol
SMILES [C@@]1(CC(c2ccccc2)=CC([C@]1(CC)[H])=O)(C(=O)c1ccccc1)[H]
SPLASH splash10-0a6s-2900000000-ca22ef4a27deba06493e
Source of Spectrum C5-2002-742-4
Synonyms (5R*,6S*)-6-Ethyl-5-benzoyl-3-phenylcyclohex-2-en-1-one (5R,6S)-5-benzoyl-6-ethyl-3-phenyl-2-cyclohexen-1-one
Wiley ID 1614502