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4-Methyl-4-(.beta.-naphthyl)-2-cyclohexenone

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

4-Methyl-4-(.beta.-naphthyl)-2-cyclohexenone
SpectraBase Compound ID 166sv8lD5jV
InChI InChI=1S/C17H16O/c1-17(10-8-16(18)9-11-17)15-7-6-13-4-2-3-5-14(13)12-15/h2-8,10,12H,9,11H2,1H3
InChIKey YEMPQJYGMICAPB-UHFFFAOYSA-N
Mol Weight 236.31 g/mol
Molecular Formula C17H16O
Exact Mass 236.120115 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID IMXaGZMPKPd
Name 4-Methyl-4-(.beta.-naphthyl)-2-cyclohexenone
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 236.120115134 u
Formula C17H16O
InChI InChI=1S/C17H16O/c1-17(10-8-16(18)9-11-17)15-7-6-13-4-2-3-5-14(13)12-15/h2-8,10,12H,9,11H2,1H3
InChIKey YEMPQJYGMICAPB-UHFFFAOYSA-N
Molecular Weight 236.314 g/mol
SMILES C1(C=CC(CC1)=O)(C=1C=C2C=CC=CC2=CC1)C
Spectrum/Structure Validation Score (Vapor Phase IR) 0.868237