| SpectraBase Spectrum ID |
3cT4FTsx95p |
| Name |
4-Cyanobenzoic acid, pentadecyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
357.266779369 u |
| Formula |
C23H35NO2 |
| InChI |
InChI=1S/C23H35NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-19-26-23(25)22-17-15-21(20-24)16-18-22/h15-18H,2-14,19H2,1H3 |
| InChIKey |
WXVFKSKXNUHSII-UHFFFAOYSA-N |
| Molecular Weight |
357.538 g/mol |
| SMILES |
C1(=CC=C(C=C1)C(OCCCCCCCCCCCCCCC)=O)C#N |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.878016 |
