| SpectraBase Spectrum ID |
6tZHCBoFXpM |
| Name |
Ethyl 4,6-difluoro-3-nitrobenzoate |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
231.034314031 u |
| Formula |
C9H7F2NO4 |
| InChI |
InChI=1S/C9H7F2NO4/c1-2-16-9(13)5-3-8(12(14)15)7(11)4-6(5)10/h3-4H,2H2,1H3 |
| InChIKey |
HKGIEPXOWGJFCW-UHFFFAOYSA-N |
| Molecular Weight |
231.155 g/mol |
| SMILES |
C=1C(=C([N+](=O)[O-])C=C(C(OCC)=O)C1F)F |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.981453 |
