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trans-3-Methyl-4-benzylcyclohexanone
SpectraBase Compound ID 1YkXw04ZndK
InChI InChI=1S/C14H18O/c1-11-9-14(15)8-7-13(11)10-12-5-3-2-4-6-12/h2-6,11,13H,7-10H2,1H3/t11-,13+/m0/s1
InChIKey ZNHXGYDVUZIQGB-WCQYABFASA-N
Mol Weight 202.3 g/mol
Molecular Formula C14H18O
Exact Mass 202.135765 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID I1E7ZcQp6xN
Name trans-3-Methyl-4-benzylcyclohexanone
Alternate Name(s) (3S,4R)-4-benzyl-3-methylcyclohexanone
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H18O
InChI InChI=1S/C14H18O/c1-11-9-14(15)8-7-13(11)10-12-5-3-2-4-6-12/h2-6,11,13H,7-10H2,1H3/t11-,13+/m0/s1
InChIKey ZNHXGYDVUZIQGB-WCQYABFASA-N
Molecular Weight 202.297 g/mol
SMILES [C@@]1([C@](CC(CC1)=O)(C)[H])(Cc1ccccc1)[H]
SPLASH splash10-0f6x-9060000000-f093b55be0812fcafed3
Source of Spectrum F-54-6441-30
Wiley ID 807436