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5-Methyl-4,4-diphenyl-1-cyclohex-2-enone

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

5-Methyl-4,4-diphenyl-1-cyclohex-2-enone
SpectraBase Compound ID JyApEypN1Fb
InChI InChI=1S/C19H18O/c1-15-14-18(20)12-13-19(15,16-8-4-2-5-9-16)17-10-6-3-7-11-17/h2-13,15H,14H2,1H3
InChIKey AVOQPQQCUSBVQR-UHFFFAOYSA-N
Mol Weight 262.35 g/mol
Molecular Formula C19H18O
Exact Mass 262.135765 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 9pFonUQ2t7S
Name 5-Methyl-4,4-diphenyl-1-cyclohex-2-enone
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 262.135765199 u
Formula C19H18O
InChI InChI=1S/C19H18O/c1-15-14-18(20)12-13-19(15,16-8-4-2-5-9-16)17-10-6-3-7-11-17/h2-13,15H,14H2,1H3
InChIKey AVOQPQQCUSBVQR-UHFFFAOYSA-N
Molecular Weight 262.352 g/mol
SMILES C1(C=CC(CC1C)=O)(C=1C=CC=CC1)C=1C=CC=CC1
Spectrum/Structure Validation Score (Vapor Phase IR) 0.958177