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2-Cyclohexen-1-one, 4-(benzoyloxy)-3-methyl-6-(1-methylethenyl)-, (4R-cis)-
SpectraBase Compound ID 936KB35oQTV
InChI InChI=1S/C17H18O3/c1-11(2)14-10-16(12(3)9-15(14)18)20-17(19)13-7-5-4-6-8-13/h4-9,14,16H,1,10H2,2-3H3/t14-,16-/m1/s1
InChIKey BESVEDRGRIBPGC-GDBMZVCRSA-N
Mol Weight 270.33 g/mol
Molecular Formula C17H18O3
Exact Mass 270.125594 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID IgJDO45Gnzb
Name 2-Cyclohexen-1-one, 4-(benzoyloxy)-3-methyl-6-(1-methylethenyl)-, (4R-cis)-
CAS Registry Number 121115-13-7
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H18O3
InChI InChI=1S/C17H18O3/c1-11(2)14-10-16(12(3)9-15(14)18)20-17(19)13-7-5-4-6-8-13/h4-9,14,16H,1,10H2,2-3H3/t14-,16-/m1/s1
InChIKey BESVEDRGRIBPGC-GDBMZVCRSA-N
Molecular Weight 270.328 g/mol
SMILES C1(C=C(C)[C@@](C[C@@]1(C(=C)C)[H])(OC(=O)c1ccccc1)[H])=O
SPLASH splash10-0a4i-2900000000-600f8de6fb81692e7adb
Source of Spectrum AJ-61-1209-14
Synonyms (1R,5R)-5-isopropenyl-2-methyl-4-oxo-2-cyclohexen-1-yl benzoate (4R,6R)-4-benzoyloxy-3-methyl-6-(1-methylethenyl)-2-cyclohexen-1-one
Wiley ID 1274602