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2-Cyclohexen-1-one, 2,6-dimethyl-5-(1-methylethenyl)-6-(phenylmethyl)-, (5S-trans)-
SpectraBase Compound ID 3icRQkqTElx
InChI InChI=1S/C18H22O/c1-13(2)16-11-10-14(3)17(19)18(16,4)12-15-8-6-5-7-9-15/h5-10,16H,1,11-12H2,2-4H3/t16-,18+/m0/s1
InChIKey UBQVIFQZTUJYID-FUHWJXTLSA-N
Mol Weight 254.37 g/mol
Molecular Formula C18H22O
Exact Mass 254.167065 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Ju9LPgMI6qd
Name 2-Cyclohexen-1-one, 2,6-dimethyl-5-(1-methylethenyl)-6-(phenylmethyl)-, (5S-trans)-
Alternate Name(s) (4S,5S)-4.alpha.-benzyl-2,4.beta.-dimethyl-5-propen-2-yl-cyclohexen-3-one (5S,6R)-6-benzyl-5-isopropenyl-2,6-dimethyl-2-cyclohexen-1-one (5S,6S)-6-benzyl-6-methyl carvone
CAS Registry Number 126685-58-3
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H22O
InChI InChI=1S/C18H22O/c1-13(2)16-11-10-14(3)17(19)18(16,4)12-15-8-6-5-7-9-15/h5-10,16H,1,11-12H2,2-4H3/t16-,18+/m0/s1
InChIKey UBQVIFQZTUJYID-FUHWJXTLSA-N
Molecular Weight 254.373 g/mol
SMILES [C@]1(C(C(C)=CC[C@]1(C(=C)C)[H])=O)(Cc1ccccc1)C
SPLASH splash10-052u-2900000000-6fba03cb4dc73662ba36
Source of Spectrum F-45-5861-3
Wiley ID 1258389