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trans-3-Butyl-2-(p-tolyl)cyclohexan-1-one
SpectraBase Compound ID 7daBJn5xTg
InChI InChI=1S/C17H24O/c1-3-4-6-14-7-5-8-16(18)17(14)15-11-9-13(2)10-12-15/h9-12,14,17H,3-8H2,1-2H3/t14-,17-/m1/s1
InChIKey PBUOWLVQTOWKGB-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 G0peH27S5C2
Name trans-3-Butyl-2-(p-tolyl)cyclohexan-1-one
Alternate Name(s) (2R,3R)-3-butyl-2-(p-tolyl)cyclohexan-1-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H24O
InChI InChI=1S/C17H24O/c1-3-4-6-14-7-5-8-16(18)17(14)15-11-9-13(2)10-12-15/h9-12,14,17H,3-8H2,1-2H3/t14-,17-/m1/s1
InChIKey PBUOWLVQTOWKGB-RHSMWYFYSA-N
Literature Reference DOI 10.1039/C5CC09837H
Molecular Weight 244.378 g/mol
SMILES C1([C@]([C@@](CCC1)(CCCC)[H])(c1ccc(cc1)C)[H])=O
SPLASH splash10-067l-2910000000-efea816171d456dadaf1
Source of Spectrum KD-52-2382/SM9-3e
Wiley ID 1803718