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4,4-Diphenyl-2-cyclohexen-1-one

View entire compound with spectra: 9 NMR, 2 FTIR, 1 Raman, and 3 MS (GC)

4,4-Diphenyl-2-cyclohexen-1-one
SpectraBase Compound ID 7BFX7z7Or4d
InChI InChI=1S/C18H16O/c19-17-11-13-18(14-12-17,15-7-3-1-4-8-15)16-9-5-2-6-10-16/h1-11,13H,12,14H2
InChIKey LUFGFXHHSGISSL-UHFFFAOYSA-N
Mol Weight 248.32 g/mol
Molecular Formula C18H16O
Exact Mass 248.120115 g/mol

Raman Spectrum

Raman Spectrum

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SpectraBase Spectrum ID LQTXTGZ1Yka
Name 4,4-Diphenyl-2-cyclohexen-1-one
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 248.120115134 u
Formula C18H16O
InChI InChI=1S/C18H16O/c19-17-11-13-18(14-12-17,15-7-3-1-4-8-15)16-9-5-2-6-10-16/h1-11,13H,12,14H2
InChIKey LUFGFXHHSGISSL-UHFFFAOYSA-N
Molecular Weight 248.325 g/mol
SMILES C=1C(=CC=CC1)C1(C=CC(CC1)=O)C=1C=CC=CC1
Spectrum/Structure Validation Score (Raman) 0.991862