| SpectraBase Spectrum ID |
HAhCU3m3jcp |
| Name |
2-Nitrobenzyl benzoate |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
257.068807834 u |
| Formula |
C14H11NO4 |
| InChI |
InChI=1S/C14H11NO4/c16-14(11-6-2-1-3-7-11)19-10-12-8-4-5-9-13(12)15(17)18/h1-9H,10H2 |
| InChIKey |
IFNWVKHDWYPTRH-UHFFFAOYSA-N |
| Molecular Weight |
257.245 g/mol |
| SMILES |
C(C1=CC=CC=C1)(=O)OCC1=C(C=CC=C1)N(=O)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.974217 |
