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5-(2-Benzyloxyethyl)-6,6-dimethylcyclohex-2-enone

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

5-(2-Benzyloxyethyl)-6,6-dimethylcyclohex-2-enone
SpectraBase Compound ID I08U92KjEyC
InChI InChI=1S/C17H22O2/c1-17(2)15(9-6-10-16(17)18)11-12-19-13-14-7-4-3-5-8-14/h3-8,10,15H,9,11-13H2,1-2H3
InChIKey YSRYJTVMYUPQTC-UHFFFAOYSA-N
Mol Weight 258.36 g/mol
Molecular Formula C17H22O2
Exact Mass 258.16198 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 6JUsnJi4o9w
Name 5-(2-Benzyloxyethyl)-6,6-dimethylcyclohex-2-enone
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 258.161979946 u
Formula C17H22O2
InChI InChI=1S/C17H22O2/c1-17(2)15(9-6-10-16(17)18)11-12-19-13-14-7-4-3-5-8-14/h3-8,10,15H,9,11-13H2,1-2H3
InChIKey YSRYJTVMYUPQTC-UHFFFAOYSA-N
Molecular Weight 258.361 g/mol
SMILES C1(=O)C=CCC(C1(C)C)CCOCC1=CC=CC=C1
Spectrum/Structure Validation Score (Vapor Phase IR) 0.9276