| SpectraBase Spectrum ID |
DgXA8l6aI4R |
| Name |
4-Nitrobenzoic acid, tridecyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
349.225308478 u |
| Formula |
C20H31NO4 |
| InChI |
InChI=1S/C20H31NO4/c1-2-3-4-5-6-7-8-9-10-11-12-17-25-20(22)18-13-15-19(16-14-18)21(23)24/h13-16H,2-12,17H2,1H3 |
| InChIKey |
UBHUJMATGQBLAU-UHFFFAOYSA-N |
| Molecular Weight |
349.471 g/mol |
| SMILES |
C1=CC(C(OCCCCCCCCCCCCC)=O)=CC=C1N(=O)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.904789 |
