SpectraBase Spectrum ID |
JnFqh6An5nk |
Name |
[(Z)-7-Benzoxyhept-1-enyl]benzene |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
280.182715392 u |
Formula |
C20H24O |
InChI |
InChI=1S/C20H24O/c1(2-6-12-19-13-7-4-8-14-19)3-11-17-21-18-20-15-9-5-10-16-20/h4-10,12-16H,1-3,11,17-18H2/b12-6- |
InChIKey |
VPPGVLRFUHUSBJ-SDQBBNPISA-N |
SMILES |
C(\C=C/C1=CC=CC=C1)CCCCOCC=1C=CC=CC1 |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.911449 |