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trans-3-Butyl-2-(4-isopropylphenyl)cyclohexan-1-one
SpectraBase Compound ID FjFCCavK4lO
InChI InChI=1S/C19H28O/c1-4-5-7-16-8-6-9-18(20)19(16)17-12-10-15(11-13-17)14(2)3/h10-14,16,19H,4-9H2,1-3H3/t16-,19-/m1/s1
InChIKey XXRWEIHKGUSHFF-VQIMIIECSA-N
Mol Weight 272.43 g/mol
Molecular Formula C19H28O
Exact Mass 272.214016 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID EA1JDWIyvs3
Name trans-3-Butyl-2-(4-isopropylphenyl)cyclohexan-1-one
Alternate Name(s) (2R,3R)-3-butyl-2-(4-isopropylphenyl)cyclohexan-1-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C19H28O
InChI InChI=1S/C19H28O/c1-4-5-7-16-8-6-9-18(20)19(16)17-12-10-15(11-13-17)14(2)3/h10-14,16,19H,4-9H2,1-3H3/t16-,19-/m1/s1
InChIKey XXRWEIHKGUSHFF-VQIMIIECSA-N
Literature Reference DOI 10.1039/C5CC09837H
Molecular Weight 272.432 g/mol
SMILES C1([C@]([C@@](CCC1)(CCCC)[H])(c1ccc(cc1)C(C)C)[H])=O
SPLASH splash10-0a4i-9300000000-4ab0f30223f9bcdcdd3b
Source of Spectrum KD-52-2382/SM10-3f
Wiley ID 1803719