| SpectraBase Spectrum ID |
DnKXTG4ErXs |
| Name |
1,4-Benzenedicarboxylic acid, 2-fluoro-5-nitro-, dimethyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
257.033565139 u |
| Formula |
C10H8FNO6 |
| InChI |
InChI=1S/C10H8FNO6/c1-17-9(13)5-4-8(12(15)16)6(3-7(5)11)10(14)18-2/h3-4H,1-2H3 |
| InChIKey |
SNOJHMRTRDHNIB-UHFFFAOYSA-N |
| Molecular Weight |
257.173 g/mol |
| SMILES |
COC(=O)C1=CC(N(=O)=O)=C(C=C1F)C(=O)OC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.801882 |
