| SpectraBase Spectrum ID |
6iijUYTsppQ |
| Name |
3,5-Dichloro-4-nitrobenzoic acid, ethyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
262.975213105 u |
| Formula |
C9H7Cl2NO4 |
| InChI |
InChI=1S/C9H7Cl2NO4/c1-2-16-9(13)5-3-6(10)8(12(14)15)7(11)4-5/h3-4H,2H2,1H3 |
| InChIKey |
UESXPIAFYAMZAZ-UHFFFAOYSA-N |
| Molecular Weight |
264.064 g/mol |
| SMILES |
C=1C(Cl)=C(C(=CC1C(=O)OCC)Cl)N(=O)=O |
| Spectrum/Structure Validation Score (Raman) |
0.887527 |
