| SpectraBase Spectrum ID |
4MNoaeuUXqJ |
| Name |
3,6-Dimethoxy-2,5-dinitrobenzonitrile |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
253.033484951 u |
| Formula |
C9H7N3O6 |
| InChI |
InChI=1S/C9H7N3O6/c1-17-7-3-6(11(13)14)9(18-2)5(4-10)8(7)12(15)16/h3H,1-2H3 |
| InChIKey |
HWZHEMAFBYCLRM-UHFFFAOYSA-N |
| Molecular Weight |
253.170 g/mol |
| SMILES |
C1(=C(C=C(C(=C1C#N)OC)N(=O)=O)OC)N(=O)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.928108 |
