| SpectraBase Spectrum ID |
95gGxLvPdk4 |
| Name |
4-Nitrobenzoic acid, pentadecyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
377.256608607 u |
| Formula |
C22H35NO4 |
| InChI |
InChI=1S/C22H35NO4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-19-27-22(24)20-15-17-21(18-16-20)23(25)26/h15-18H,2-14,19H2,1H3 |
| InChIKey |
JWGNROBCUZNKQT-UHFFFAOYSA-N |
| Molecular Weight |
377.525 g/mol |
| SMILES |
C1=C(N(=O)=O)C=CC(=C1)C(OCCCCCCCCCCCCCCC)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.88476 |
