| SpectraBase Spectrum ID |
LWQTLep4TVS |
| Name |
Pyridine-2-carboxylic acid, tetradecyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
319.251129305 u |
| Formula |
C20H33NO2 |
| InChI |
InChI=1S/C20H33NO2/c1-2-3-4-5-6-7-8-9-10-11-12-15-18-23-20(22)19-16-13-14-17-21-19/h13-14,16-17H,2-12,15,18H2,1H3 |
| InChIKey |
XYCRWADEMHQUCD-UHFFFAOYSA-N |
| Molecular Weight |
319.489 g/mol |
| SMILES |
C1=NC(C(OCCCCCCCCCCCCCC)=O)=CC=C1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.873495 |
