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trans-3-Butyl-2-(m-tolyl)cyclohexan-1-one
SpectraBase Compound ID 19yM2XUkt0j
InChI InChI=1S/C17H24O/c1-3-4-8-14-9-6-11-16(18)17(14)15-10-5-7-13(2)12-15/h5,7,10,12,14,17H,3-4,6,8-9,11H2,1-2H3/t14-,17-/m1/s1
InChIKey KEUYJLDNHHOKCA-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 IrFcDB0NUdq
Name trans-3-Butyl-2-(m-tolyl)cyclohexan-1-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H24O
InChI InChI=1S/C17H24O/c1-3-4-8-14-9-6-11-16(18)17(14)15-10-5-7-13(2)12-15/h5,7,10,12,14,17H,3-4,6,8-9,11H2,1-2H3/t14-,17-/m1/s1
InChIKey KEUYJLDNHHOKCA-RHSMWYFYSA-N
Literature Reference DOI 10.1039/C5CC09837H
Molecular Weight 244.378 g/mol
SMILES C1([C@]([C@@](CCC1)(CCCC)[H])(c1cc(ccc1)C)[H])=O
SPLASH splash10-0a4l-4920000000-d54924db69a2134e561d
Source of Spectrum KD-52-2382/SM13-3k
Synonyms (2R,3R)-3-butyl-2-(m-tolyl)cyclohexan-1-one
Wiley ID 1803724