| SpectraBase Spectrum ID |
9wni8dBWVs6 |
| Name |
Benzoic acid, (3-methyl-2-nitrophenyl)methyl 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/c1-11-6-5-9-13(14(11)16(18)19)10-20-15(17)12-7-3-2-4-8-12/h2-9H,10H2,1H3 |
| InChIKey |
PEWUZTVNLKXCHQ-UHFFFAOYSA-N |
| SMILES |
CC1=CC=CC(=C1N(=O)=O)COC(C1=CC=CC=C1)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.962783 |
