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4'-Methoxy-3-(2-oxocyclohexyl)-3-phenylpropiophenone

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

4'-Methoxy-3-(2-oxocyclohexyl)-3-phenylpropiophenone
SpectraBase Compound ID 3JL2kh9RDae
InChI InChI=1S/C22H24O3/c1-25-18-13-11-17(12-14-18)22(24)15-20(16-7-3-2-4-8-16)19-9-5-6-10-21(19)23/h2-4,7-8,11-14,19-20H,5-6,9-10,15H2,1H3
InChIKey AEPJJSIKAPYQBL-UHFFFAOYSA-N
Mol Weight 336.43 g/mol
Molecular Formula C22H24O3
Exact Mass 336.172545 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Kl6eXMwQ3gt
Name 4'-Methoxy-3-(2-oxocyclohexyl)-3-phenylpropiophenone
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 336.172544630 u
Formula C22H24O3
InChI InChI=1S/C22H24O3/c1-25-18-13-11-17(12-14-18)22(24)15-20(16-7-3-2-4-8-16)19-9-5-6-10-21(19)23/h2-4,7-8,11-14,19-20H,5-6,9-10,15H2,1H3
InChIKey AEPJJSIKAPYQBL-UHFFFAOYSA-N
Molecular Weight 336.431 g/mol
SMILES COC1=CC=C(C=C1)C(=O)CC(C=1C=CC=CC1)C1C(CCCC1)=O