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trans-2-benzyl-6-methylcyclohexanone

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

trans-2-benzyl-6-methylcyclohexanone
SpectraBase Compound ID 2F3DzlZ8lDl
InChI InChI=1S/C14H18O/c1-11-6-5-9-13(14(11)15)10-12-7-3-2-4-8-12/h2-4,7-8,11,13H,5-6,9-10H2,1H3
InChIKey RADVUEMOCLDJMY-UHFFFAOYSA-N
Mol Weight 202.3 g/mol
Molecular Formula C14H18O
Exact Mass 202.135765 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 4wjbAN2ALAo
Name cis-2-Benzyl-6-methylcyclohexanone
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 202.135765199 u
Formula C14H18O
InChI InChI=1S/C14H18O/c1-11-6-5-9-13(14(11)15)10-12-7-3-2-4-8-12/h2-4,7-8,11,13H,5-6,9-10H2,1H3
InChIKey RADVUEMOCLDJMY-UHFFFAOYSA-N
Molecular Weight 202.297 g/mol
SMILES C1(C(CCCC1C)CC1=CC=CC=C1)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.859041