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Trans-3-butyl-4,4-dimethyl-2-phenylcyclohexan-1-one

View entire compound with spectra: 1 NMR, and 1 MS (GC)

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

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID A2yKe5UFrQN
Name Trans-3-butyl-4,4-dimethyl-2-phenylcyclohexan-1-one
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 258.198365456 u
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
Molecular Weight 258.405 g/mol
SMILES C1([C@]([C@@](C(CC1)(C)C)(CCCC)[H])(C=1C=CC=CC1)[H])=O