| SpectraBase Compound ID | 7dC11TuXucE |
|---|---|
| InChI | InChI=1S/C9H9ClN2O4/c10-6-1-2-7(8(5-6)12(15)16)11-4-3-9(13)14/h1-2,5,11H,3-4H2,(H,13,14) |
| InChIKey | CUJKGDAPMSUCRL-UHFFFAOYSA-N |
| Mol Weight | 244.63 g/mol |
| Molecular Formula | C9H9ClN2O4 |
| Exact Mass | 244.025084 g/mol |
Raman Spectrum
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| SpectraBase Spectrum ID | KqP8ZLJy85 |
|---|---|
| Name | 3-(4-Chloro-2-nitroanilino)propionic acid |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 244.025084474 u |
| Formula | C9H9ClN2O4 |
| InChI | InChI=1S/C9H9ClN2O4/c10-6-1-2-7(8(5-6)12(15)16)11-4-3-9(13)14/h1-2,5,11H,3-4H2,(H,13,14) |
| InChIKey | CUJKGDAPMSUCRL-UHFFFAOYSA-N |
| SMILES | N(C1=CC=C(Cl)C=C1N(=O)=O)CCC(=O)O |
| Spectrum/Structure Validation Score (Raman) | 0.727601 |