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(2S,3S,5S)-3-Acetyl-2-methyl-5-(1-methylethenyl)cyclohexanone
SpectraBase Compound ID 2bGcyUq3XgF
InChI InChI=1S/C12H18O2/c1-7(2)10-5-11(9(4)13)8(3)12(14)6-10/h8,10-11H,1,5-6H2,2-4H3/t8-,10-,11-/m0/s1
InChIKey GCTFMELONZRKBX-LSJOCFKGSA-N
Mol Weight 194.27 g/mol
Molecular Formula C12H18O2
Exact Mass 194.13068 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID WjPs4ZA2q
Name (2S,3S,5S)-3-Acetyl-2-methyl-5-(1-methylethenyl)cyclohexanone
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H18O2
InChI InChI=1S/C12H18O2/c1-7(2)10-5-11(9(4)13)8(3)12(14)6-10/h8,10-11H,1,5-6H2,2-4H3/t8-,10-,11-/m0/s1
InChIKey GCTFMELONZRKBX-LSJOCFKGSA-N
Molecular Weight 194.274 g/mol
SMILES [C@]1(C[C@](C(=C)C)(CC([C@]1(C)[H])=O)[H])(C(=O)C)[H]
SPLASH splash10-0k96-9700000000-6dc845bcea6c3777db37
Source of Spectrum F-53-97-8
Synonyms (2S,3S,5S)-3-acetyl-5-isopropenyl-2-methylcyclohexanone
Wiley ID 799917