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trans-3-Butyl-2-(o-tolyl)cyclohexan-1-one
SpectraBase Compound ID 8Goq2XOMGR9
InChI InChI=1S/C17H24O/c1-3-4-9-14-10-7-12-16(18)17(14)15-11-6-5-8-13(15)2/h5-6,8,11,14,17H,3-4,7,9-10,12H2,1-2H3/t14-,17-/m1/s1
InChIKey FQVJVZQYPKQEJZ-RHSMWYFYSA-N
Mol Weight 244.38 g/mol
Molecular Formula C17H24O
Exact Mass 244.182715 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7eXPQpaFBzJ
Name trans-3-Butyl-2-(o-tolyl)cyclohexan-1-one
Alternate Name(s) (2R,3R)-3-butyl-2-(o-tolyl)cyclohexan-1-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H24O
InChI InChI=1S/C17H24O/c1-3-4-9-14-10-7-12-16(18)17(14)15-11-6-5-8-13(15)2/h5-6,8,11,14,17H,3-4,7,9-10,12H2,1-2H3/t14-,17-/m1/s1
InChIKey FQVJVZQYPKQEJZ-RHSMWYFYSA-N
Literature Reference DOI 10.1039/C5CC09837H
Molecular Weight 244.378 g/mol
SMILES C1([C@]([C@@](CCC1)(CCCC)[H])(c1c(cccc1)C)[H])=O
SPLASH splash10-0aou-4910000000-104bc17ae2be34e606f3
Source of Spectrum KD-52-2382/SM12-3j
Wiley ID 1803723