| SpectraBase Spectrum ID |
BTwCQAi5R6z |
| Name |
1,3-bis(2,4-Dinitrophenylcarbamoyl)benzene |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
496.061490600 u |
| Formula |
C20H12N6O10 |
| InChI |
InChI=1S/C20H12N6O10/c27-19(21-15-6-4-13(23(29)30)9-17(15)25(33)34)11-2-1-3-12(8-11)20(28)22-16-7-5-14(24(31)32)10-18(16)26(35)36/h1-10H,(H,21,27)(H,22,28) |
| InChIKey |
BGNMLOMACRZRAS-UHFFFAOYSA-N |
| Molecular Weight |
496.348 g/mol |
| SMILES |
C1=C(C=CC=C1C(NC1=C(C=C(C=C1)N(=O)=O)N(=O)=O)=O)C(NC1=CC=C(C=C1N(=O)=O)N(=O)=O)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.984559 |
