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1-(1-Oxo-2-phenylethyl)-4-methyl-1-cyclohexene

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

1-(1-Oxo-2-phenylethyl)-4-methyl-1-cyclohexene
SpectraBase Compound ID CWoG4OBi3Xc
InChI InChI=1S/C15H18O/c1-12-7-9-14(10-8-12)15(16)11-13-5-3-2-4-6-13/h2-6,9,12H,7-8,10-11H2,1H3
InChIKey AULFDKXBAOJDEI-UHFFFAOYSA-N
Mol Weight 214.31 g/mol
Molecular Formula C15H18O
Exact Mass 214.135765 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID LhGV2sSSWat
Name 1-(1-oxo-2-Phenylethyl)-4-methyl-1-cyclohexene
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 214.135765199 u
Formula C15H18O
InChI InChI=1S/C15H18O/c1-12-7-9-14(10-8-12)15(16)11-13-5-3-2-4-6-13/h2-6,9,12H,7-8,10-11H2,1H3
InChIKey AULFDKXBAOJDEI-UHFFFAOYSA-N
Molecular Weight 214.308 g/mol
SMILES C1(C(CC2=CC=CC=C2)=O)=CCC(CC1)C
Spectrum/Structure Validation Score (Vapor Phase IR) 0.951159