| SpectraBase Compound ID | 7jS6DCU43SI |
|---|---|
| InChI | InChI=1S/C13H8Cl3NO/c14-8-1-4-10(5-2-8)17-13(18)11-6-3-9(15)7-12(11)16/h1-7H,(H,17,18) |
| InChIKey | YKYNQSLLCKORDX-UHFFFAOYSA-N |
| Mol Weight | 300.57 g/mol |
| Molecular Formula | C13H8Cl3NO |
| Exact Mass | 298.967147 g/mol |
Raman Spectrum
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| SpectraBase Spectrum ID | FtrMmHwkF5 |
|---|---|
| Name | 2,4,4'-Trichlorobenzanilide |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 298.967146981 u |
| Formula | C13H8Cl3NO |
| InChI | InChI=1S/C13H8Cl3NO/c14-8-1-4-10(5-2-8)17-13(18)11-6-3-9(15)7-12(11)16/h1-7H,(H,17,18) |
| InChIKey | YKYNQSLLCKORDX-UHFFFAOYSA-N |
| SMILES | N(C(C1=CC=C(C=C1Cl)Cl)=O)C=1C=CC(=CC1)Cl |
| Spectrum/Structure Validation Score (Raman) | 0.972246 |