| SpectraBase Spectrum ID |
LWlbEjFJJwi |
| Name |
2-Allyl-3-benzyloxy-4-methoxybenzonitrile |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
279.125928789 u |
| Formula |
C18H17NO2 |
| InChI |
InChI=1S/C18H17NO2/c1-3-7-16-15(12-19)10-11-17(20-2)18(16)21-13-14-8-5-4-6-9-14/h3-6,8-11H,1,7,13H2,2H3 |
| InChIKey |
XCORDHFPZJEFLK-UHFFFAOYSA-N |
| Molecular Weight |
279.339 g/mol |
| SMILES |
C=1(C(=C(C#N)C=CC1OC)CC=C)OCC1=CC=CC=C1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.958713 |
