| SpectraBase Spectrum ID |
7bb4AeQHMcL |
| Name |
Methanediamine, N,N'-bis(5-chloro-2-nitrophenyl)- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
356.007910214 u |
| Formula |
C13H10Cl2N4O4 |
| InChI |
InChI=1S/C13H10Cl2N4O4/c14-8-1-3-12(18(20)21)10(5-8)16-7-17-11-6-9(15)2-4-13(11)19(22)23/h1-6,16-17H,7H2 |
| InChIKey |
BNVXGKUHYOTDTL-UHFFFAOYSA-N |
| Molecular Weight |
357.153 g/mol |
| SMILES |
N(C1=C(C=CC(=C1)Cl)[N+]([O-])=O)CNC1=C(C=CC(=C1)Cl)[N+]([O-])=O |
| Spectrum/Structure Validation Score (Raman) |
0.971904 |
