| SpectraBase Spectrum ID |
1EsOSiPIT8L |
| Name |
4-Cyanobenzoic acid, hexadecyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
371.282429433 u |
| Formula |
C24H37NO2 |
| InChI |
InChI=1S/C24H37NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-20-27-24(26)23-18-16-22(21-25)17-19-23/h16-19H,2-15,20H2,1H3 |
| InChIKey |
WXBONVHCLKVXBG-UHFFFAOYSA-N |
| Molecular Weight |
371.565 g/mol |
| SMILES |
C1=C(C=CC(=C1)C(OCCCCCCCCCCCCCCCC)=O)C#N |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.881781 |
