| SpectraBase Spectrum ID |
3sZYaL2yRZJ |
| Name |
4-(3-Nitrophenyl)benzoic acid ethyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
271.084457899 u |
| Formula |
C15H13NO4 |
| InChI |
InChI=1S/C15H13NO4/c1-2-20-15(17)12-8-6-11(7-9-12)13-4-3-5-14(10-13)16(18)19/h3-10H,2H2,1H3 |
| InChIKey |
WCZWAMAIMGEQNT-UHFFFAOYSA-N |
| SMILES |
C1(N(=O)=O)=CC(C=2C=CC(C(=O)OCC)=CC2)=CC=C1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.948205 |
