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Trans-3-butyl-6-methyl-2-phenylcyclohexan-1-one

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

Trans-3-butyl-6-methyl-2-phenylcyclohexan-1-one
SpectraBase Compound ID DJ3EpP9CCZo
InChI InChI=1S/C17H24O/c1-3-4-8-15-12-11-13(2)17(18)16(15)14-9-6-5-7-10-14/h5-7,9-10,13,15-16H,3-4,8,11-12H2,1-2H3/t13?,15-,16+/m1/s1
InChIKey UQURSFMSXNIPRH-CZVYVAOFSA-N
Mol Weight 244.38 g/mol
Molecular Formula C17H24O
Exact Mass 244.182715 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Fl3PAhe6N8B
Name Trans-3-butyl-6-methyl-2-phenylcyclohexan-1-one
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 244.182715392 u
Formula C17H24O
InChI InChI=1S/C17H24O/c1-3-4-8-15-12-11-13(2)17(18)16(15)14-9-6-5-7-10-14/h5-7,9-10,13,15-16H,3-4,8,11-12H2,1-2H3/t13?,15-,16+/m1/s1
InChIKey UQURSFMSXNIPRH-CZVYVAOFSA-N
Molecular Weight 244.378 g/mol
SMILES C1([C@]([C@@](CCC1C)(CCCC)[H])(C=1C=CC=CC1)[H])=O