| SpectraBase Spectrum ID |
Am8sKBkNjwh |
| Name |
3-Phenoxybenzyl 3,5-dinitrobenzoate |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
394.080100792 u |
| Formula |
C20H14N2O7 |
| InChI |
InChI=1S/C20H14N2O7/c23-20(15-10-16(21(24)25)12-17(11-15)22(26)27)28-13-14-5-4-8-19(9-14)29-18-6-2-1-3-7-18/h1-12H,13H2 |
| InChIKey |
BUHSFUZRXFWOLT-UHFFFAOYSA-N |
| Molecular Weight |
394.339 g/mol |
| SMILES |
C1(=CC(=CC(=C1)N(=O)=O)N(=O)=O)C(=O)OCC1=CC(OC2=CC=CC=C2)=CC=C1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.919261 |
