SpectraBase Spectrum ID |
AXOK3wew4aE |
Name |
Benzene, 1-ethoxy-4-[2-(4-pentylcyclohexyl)ethyl]- |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
302.260965714 u |
Formula |
C21H34O |
InChI |
InChI=1S/C21H34O/c1-3-5-6-7-18-8-10-19(11-9-18)12-13-20-14-16-21(17-15-20)22-4-2/h14-19H,3-13H2,1-2H3 |
InChIKey |
LFGDFCLIVISJSO-UHFFFAOYSA-N |
SMILES |
C1C(CCC(C1)CCCCC)CCC1=CC=C(C=C1)OCC |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.893719 |