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2-(3-Methylcyclohex-2-en-1-yl)-1-phenylethan-1-one

View entire compound with spectra: 1 FTIR, and 2 MS (GC)

2-(3-Methylcyclohex-2-en-1-yl)-1-phenylethan-1-one
SpectraBase Compound ID LksEtEYJ4Fm
InChI InChI=1S/C15H18O/c1-12-6-5-7-13(10-12)11-15(16)14-8-3-2-4-9-14/h2-4,8-10,13H,5-7,11H2,1H3
InChIKey OCMZKKGOEVTFMB-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 7WHXjvLdT3V
Name 2-(3-Methylcyclohex-2-en-1-yl)-1-phenylethan-1-one
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/c1-12-6-5-7-13(10-12)11-15(16)14-8-3-2-4-9-14/h2-4,8-10,13H,5-7,11H2,1H3
InChIKey OCMZKKGOEVTFMB-UHFFFAOYSA-N
Molecular Weight 214.308 g/mol
SMILES C(CC1C=C(CCC1)C)(=O)C=1C=CC=CC1
Spectrum/Structure Validation Score (Vapor Phase IR) 0.976272