| SpectraBase Compound ID | 9PY7L5LMIBN |
|---|---|
| InChI | InChI=1S/C9H7Cl2NO3/c10-6-2-1-5(3-7(6)11)9(15)12-4-8(13)14/h1-3H,4H2,(H,12,15)(H,13,14) |
| InChIKey | TVWQKCYNJSKYOP-UHFFFAOYSA-N |
| Mol Weight | 248.06 g/mol |
| Molecular Formula | C9H7Cl2NO3 |
| Exact Mass | 246.980298 g/mol |
Raman Spectrum
Subscribe to view the full spectrum.
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | JDPw5rlNzYN |
|---|---|
| Name | 3,4-Dichlorohippuric acid |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 246.980298486 u |
| Formula | C9H7Cl2NO3 |
| InChI | InChI=1S/C9H7Cl2NO3/c10-6-2-1-5(3-7(6)11)9(15)12-4-8(13)14/h1-3H,4H2,(H,12,15)(H,13,14) |
| InChIKey | TVWQKCYNJSKYOP-UHFFFAOYSA-N |
| SMILES | N(C(C1=CC=C(C(=C1)Cl)Cl)=O)CC(O)=O |
| Spectrum/Structure Validation Score (Raman) | 0.93716 |