| SpectraBase Spectrum ID |
5r0hPVwnrQr |
| Name |
o-(2,4-Dinitroanilino)phenyl acetate |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
317.064785080 u |
| Formula |
C14H11N3O6 |
| InChI |
InChI=1S/C14H11N3O6/c1-9(18)23-14-5-3-2-4-12(14)15-11-7-6-10(16(19)20)8-13(11)17(21)22/h2-8,15H,1H3 |
| InChIKey |
MIRHBFBULNKYNW-UHFFFAOYSA-N |
| Molecular Weight |
317.257 g/mol |
| SMILES |
C1(=CC=CC=C1OC(=O)C)NC1=CC=C(N(=O)=O)C=C1N(=O)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.962091 |
