| SpectraBase Spectrum ID |
BqPtwsRJ5pw |
| Name |
2,4-Dichloro-N-cyanomethyl-N-methyl-3,5-dinitrobenzamide |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
331.971524704 u |
| Formula |
C10H6Cl2N4O5 |
| InChI |
InChI=1S/C10H6Cl2N4O5/c1-14(3-2-13)10(17)5-4-6(15(18)19)8(12)9(7(5)11)16(20)21/h4H,3H2,1H3 |
| InChIKey |
UKDRSKFSWNMCSD-UHFFFAOYSA-N |
| Molecular Weight |
333.087 g/mol |
| SMILES |
C1(=CC(=C(C(=C1Cl)[N+]([O-])=O)Cl)C(=O)N(CC#N)C)[N+]([O-])=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.847459 |
