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trans-3-butyl-5-methyl-2-phenylcyclohexan-1-one
SpectraBase Compound ID IFU0izBBMl
InChI InChI=1S/C17H24O/c1-3-4-8-15-11-13(2)12-16(18)17(15)14-9-6-5-7-10-14/h5-7,9-10,13,15,17H,3-4,8,11-12H2,1-2H3/t13?,15-,17+/m1/s1
InChIKey ABJVHWNRJHVEAQ-RHBCBLIFSA-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 2RnBgiS6ng
Name trans-3-butyl-5-methyl-2-phenylcyclohexan-1-one
Alternate Name(s) (2R,3R)-3-butyl-5-methyl-2-phenylcyclohexan-1-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H24O
InChI InChI=1S/C17H24O/c1-3-4-8-15-11-13(2)12-16(18)17(15)14-9-6-5-7-10-14/h5-7,9-10,13,15,17H,3-4,8,11-12H2,1-2H3/t13?,15-,17+/m1/s1
InChIKey ABJVHWNRJHVEAQ-RHBCBLIFSA-N
Literature Reference DOI 10.1039/C5CC09837H
Molecular Weight 244.378 g/mol
SMILES C1([C@]([C@@](CC(C1)C)(CCCC)[H])(c1ccccc1)[H])=O
SPLASH splash10-066u-7910000000-50d4f9579106f6b3666f
Source of Spectrum KD-52-2382/SM17-3r
Wiley ID 1803730