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2-cis-(4'-Methoxybenzyl)-6-methyl-1-cyclohexyl acetate

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

2-cis-(4'-Methoxybenzyl)-6-methyl-1-cyclohexyl acetate
SpectraBase Compound ID 9q41maDcTF5
InChI InChI=1S/C17H24O3/c1-12-5-4-6-15(17(12)20-13(2)18)11-14-7-9-16(19-3)10-8-14/h7-10,12,15,17H,4-6,11H2,1-3H3
InChIKey OWLUHSKIJXOMCA-UHFFFAOYSA-N
Mol Weight 276.38 g/mol
Molecular Formula C17H24O3
Exact Mass 276.172545 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID QiOye4d4Xq
Name 2-cis-(4'-Methoxybenzyl)-6-methyl-1-cyclohexyl acetate
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 276.172544630 u
Formula C17H24O3
InChI InChI=1S/C17H24O3/c1-12-5-4-6-15(17(12)20-13(2)18)11-14-7-9-16(19-3)10-8-14/h7-10,12,15,17H,4-6,11H2,1-3H3
InChIKey OWLUHSKIJXOMCA-UHFFFAOYSA-N
SMILES C1(C(CC=2C=CC(=CC2)OC)CCCC1C)OC(=O)C
Spectrum/Structure Validation Score (Vapor Phase IR) 0.950552