| SpectraBase Spectrum ID |
FRVE7bod6ZG |
| Name |
2,6-Dichloro-4-nitrobenzonitrile; benzonitrile, 2,6-dichloro-4-nitro- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
215.949332710 u |
| Formula |
C7H2Cl2N2O2 |
| InChI |
InChI=1S/C7H2Cl2N2O2/c8-6-1-4(11(12)13)2-7(9)5(6)3-10/h1-2H |
| InChIKey |
MADGWOCVYGHPIY-UHFFFAOYSA-N |
| Molecular Weight |
217.011 g/mol |
| SMILES |
C1(=C(C=C(C=C1Cl)[N+]([O-])=O)Cl)C#N |
| Spectrum/Structure Validation Score (Raman) |
0.786449 |
