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trans-3-butyl-4,4-dimethyl-2-phenylcyclohexan-1-one
SpectraBase Compound ID AjDNrDOc8JD
InChI InChI=1S/C18H26O/c1-4-5-11-15-17(14-9-7-6-8-10-14)16(19)12-13-18(15,2)3/h6-10,15,17H,4-5,11-13H2,1-3H3/t15-,17-/m0/s1
InChIKey XNXVIQWNHGBOIE-RDJZCZTQSA-N
Mol Weight 258.4 g/mol
Molecular Formula C18H26O
Exact Mass 258.198365 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BHUYwF5KaqV
Name trans-3-butyl-4,4-dimethyl-2-phenylcyclohexan-1-one
Alternate Name(s) (2R,3S)-3-butyl-4,4-dimethyl-2-phenylcyclohexan-1-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H26O
InChI InChI=1S/C18H26O/c1-4-5-11-15-17(14-9-7-6-8-10-14)16(19)12-13-18(15,2)3/h6-10,15,17H,4-5,11-13H2,1-3H3/t15-,17-/m0/s1
InChIKey XNXVIQWNHGBOIE-RDJZCZTQSA-N
Literature Reference DOI 10.1039/C5CC09837H
Molecular Weight 258.405 g/mol
SMILES C1([C@]([C@@](C(CC1)(C)C)(CCCC)[H])(c1ccccc1)[H])=O
SPLASH splash10-0aor-9210000000-abe3e4d10fe8c3d1ff0b
Source of Spectrum KD-52-2382/SM18-3t
Wiley ID 1803732