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trans-3-Butyl-2-phenylcyclohexanone
SpectraBase Compound ID 5I33eV0RjRu
InChI InChI=1S/C16H22O/c1-2-3-8-13-11-7-12-15(17)16(13)14-9-5-4-6-10-14/h4-6,9-10,13,16H,2-3,7-8,11-12H2,1H3/t13-,16-/m1/s1
InChIKey DUYZSERYURXUPN-CZUORRHYSA-N
Mol Weight 230.35 g/mol
Molecular Formula C16H22O
Exact Mass 230.167065 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID AjO3T80Pc9H
Name trans-3-Butyl-2-phenylcyclohexanone
Alternate Name(s) (2R,3R)-3-butyl-2-phenylcyclohexan-1-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H22O
InChI InChI=1S/C16H22O/c1-2-3-8-13-11-7-12-15(17)16(13)14-9-5-4-6-10-14/h4-6,9-10,13,16H,2-3,7-8,11-12H2,1H3/t13-,16-/m1/s1
InChIKey DUYZSERYURXUPN-CZUORRHYSA-N
Literature Reference DOI 10.1039/C5CC09837H
Molecular Weight 230.351 g/mol
SMILES C1([C@]([C@@](CCC1)(CCCC)[H])(c1ccccc1)[H])=O
SPLASH splash10-0693-9720000000-7bb9eb288a63d409267b
Source of Spectrum KD-52-2382/SM7-3a
Wiley ID 1803714