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2-Cyclohexen-1-one, 6-ethyl-2-methyl-5-(1-methylethenyl)-, (5R)-
SpectraBase Compound ID 6OXagsEkEJz
InChI InChI=1S/C12H18O/c1-5-10-11(8(2)3)7-6-9(4)12(10)13/h6,10-11H,2,5,7H2,1,3-4H3/t10?,11-/m0/s1
InChIKey XMOHDOVVLKDMAS-DTIOYNMSSA-N
Mol Weight 178.27 g/mol
Molecular Formula C12H18O
Exact Mass 178.135765 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KKAheoBGmVa
Name 2-Cyclohexen-1-one, 6-ethyl-2-methyl-5-(1-methylethenyl)-, (5R)-
CAS Registry Number 126685-50-5
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H18O
InChI InChI=1S/C12H18O/c1-5-10-11(8(2)3)7-6-9(4)12(10)13/h6,10-11H,2,5,7H2,1,3-4H3/t10?,11-/m0/s1
InChIKey XMOHDOVVLKDMAS-DTIOYNMSSA-N
Molecular Weight 178.275 g/mol
SMILES C1(C([C@](C(=C)C)(CC=C1C)[H])CC)=O
SPLASH splash10-01tj-0900000000-c9983cbbf12a0ed21910
Source of Spectrum F-45-5861-4
Synonyms (5R)-6-ethyl-5-isopropenyl-2-methyl-2-cyclohexen-1-one (5R,6S) and (5R,6R)-6-ethyl carvone
Wiley ID 1174698