| SpectraBase Spectrum ID |
D6kIjFXVbXd |
| Name |
Benzenamine, 4-nitro-N-(4,5-methyledioxy-2-nitrobenzylidene)- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
315.049135016 u |
| Formula |
C14H9N3O6 |
| InChI |
InChI=1S/C14H9N3O6/c18-16(19)11-3-1-10(2-4-11)15-7-9-5-13-14(23-8-22-13)6-12(9)17(20)21/h1-7H,8H2/b15-7+ |
| InChIKey |
RQEIOIQNXNGPRJ-VIZOYTHASA-N |
| Molecular Weight |
315.241 g/mol |
| SMILES |
C12=CC(=C(C=C2OCO1)\C=N\C1=CC=C(C=C1)N(=O)=O)N(=O)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.967815 |
