| SpectraBase Spectrum ID |
AjrDqKP0vU7 |
| Name |
(2Z)-5-Nitro-2-(2,3,3-trichloro-1-nitro-prop-2-enylidene)-1,3-dihydrobenzimidazole |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
349.937637753 u |
| Formula |
C10H5Cl3N4O4 |
| InChI |
InChI=1S/C10H5Cl3N4O4/c11-7(9(12)13)8(17(20)21)10-14-5-2-1-4(16(18)19)3-6(5)15-10/h1-3,14-15H/b10-8- |
| InChIKey |
GNYQAQGKSWHZNB-NTMALXAHSA-N |
| Molecular Weight |
351.533 g/mol |
| SMILES |
C1=2N\C(=C\(C(=C(Cl)Cl)Cl)N(=O)=O)NC1=CC=C(C2)N(=O)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.906639 |
