| SpectraBase Spectrum ID |
3vhbqU2zTfy |
| Name |
4-Cyanobenzoic acid, tetradecyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
343.251129305 u |
| Formula |
C22H33NO2 |
| InChI |
InChI=1S/C22H33NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-18-25-22(24)21-16-14-20(19-23)15-17-21/h14-17H,2-13,18H2,1H3 |
| InChIKey |
GHWJYNVUWQLING-UHFFFAOYSA-N |
| Molecular Weight |
343.511 g/mol |
| SMILES |
C1(=CC=C(C=C1)C(OCCCCCCCCCCCCCC)=O)C#N |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.850455 |
