| SpectraBase Compound ID | KaqBN6jy0S |
|---|---|
| InChI | InChI=1S/C8H6Cl3NO/c9-5-1-3-6(4-2-5)12-8(13)7(10)11/h1-4,7H,(H,12,13) |
| InChIKey | PZDAVLWZYYLGOR-UHFFFAOYSA-N |
| Mol Weight | 238.5 g/mol |
| Molecular Formula | C8H6Cl3NO |
| Exact Mass | 236.951497 g/mol |
Raman Spectrum
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| SpectraBase Spectrum ID | G1JHMGrxSjJ |
|---|---|
| Name | 2,2,4'-Trichloroacetanilide; acetamide, 2,2-dichloro-N-(4-chlorophenyl)- |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 236.951496916 u |
| Formula | C8H6Cl3NO |
| InChI | InChI=1S/C8H6Cl3NO/c9-5-1-3-6(4-2-5)12-8(13)7(10)11/h1-4,7H,(H,12,13) |
| InChIKey | PZDAVLWZYYLGOR-UHFFFAOYSA-N |
| SMILES | N(C1=CC=C(C=C1)Cl)C(C(Cl)Cl)=O |
| Spectrum/Structure Validation Score (Raman) | 0.850663 |