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1,3-Bis(4-methylbenzylidene)-4-phenylcyclohexan-2-one

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

1,3-Bis(4-methylbenzylidene)-4-phenylcyclohexan-2-one
SpectraBase Compound ID 6THVKbvHUnR
InChI InChI=1S/C28H26O/c1-20-8-12-22(13-9-20)18-25-16-17-26(24-6-4-3-5-7-24)27(28(25)29)19-23-14-10-21(2)11-15-23/h3-15,18-19,26H,16-17H2,1-2H3/b25-18+,27-19-
InChIKey AEILDOJOBFGGQP-CVRWBSSWSA-N
Mol Weight 378.52 g/mol
Molecular Formula C28H26O
Exact Mass 378.198365 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 6adKVt4W7t3
Name 1,3-bis(4-Methylbenzylidene)-4-phenylcyclohexan-2-one
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 378.198365456 u
Formula C28H26O
InChI InChI=1S/C28H26O/c1-20-8-12-22(13-9-20)18-25-16-17-26(24-6-4-3-5-7-24)27(28(25)29)19-23-14-10-21(2)11-15-23/h3-15,18-19,26H,16-17H2,1-2H3/b25-18+,27-19-
InChIKey AEILDOJOBFGGQP-CVRWBSSWSA-N
Molecular Weight 378.515 g/mol
SMILES C1(\C(CCC(\C1=C/C=1C=CC(=CC1)C)C=1C=CC=CC1)=C\C=1C=CC(=CC1)C)=O