| SpectraBase Compound ID | DfevS75UEhA |
|---|---|
| InChI | InChI=1S/C8H6Cl3NO/c9-4-8(13)12-7-2-1-5(10)3-6(7)11/h1-3H,4H2,(H,12,13) |
| InChIKey | KRUAPYSYOURFRC-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 | DmGbm4i6fCo |
|---|---|
| Name | 2,2',4'-Trichloroacetanilide |
| 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/c9-4-8(13)12-7-2-1-5(10)3-6(7)11/h1-3H,4H2,(H,12,13) |
| InChIKey | KRUAPYSYOURFRC-UHFFFAOYSA-N |
| SMILES | N(C1=CC=C(C=C1Cl)Cl)C(CCl)=O |
| Spectrum/Structure Validation Score (Raman) | 0.783045 |