| SpectraBase Spectrum ID |
C8cSZATbQi7 |
| Name |
1,2-Dinitrobenzene, 3,4-dimethoxy-6-fluoro- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
246.028814110 u |
| Formula |
C8H7FN2O6 |
| InChI |
InChI=1S/C8H7FN2O6/c1-16-5-3-4(9)6(10(12)13)7(11(14)15)8(5)17-2/h3H,1-2H3 |
| InChIKey |
GAPIASIQYOZFCO-UHFFFAOYSA-N |
| Molecular Weight |
246.150 g/mol |
| SMILES |
C1(=C(C(=C(C(=C1)OC)OC)N(=O)=O)N(=O)=O)F |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.885034 |
