| SpectraBase Compound ID | w1zLx0dRke |
|---|---|
| InChI | InChI=1S/C9H9Cl2NO/c1-2-9(13)12-6-3-4-7(10)8(11)5-6/h3-5H,2H2,1H3,(H,12,13) |
| InChIKey | LFULEKSKNZEWOE-UHFFFAOYSA-N |
| Mol Weight | 218.08 g/mol |
| Molecular Formula | C9H9Cl2NO |
| Exact Mass | 217.006119 g/mol |
Raman Spectrum
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| SpectraBase Spectrum ID | HZ4QJGFmgfd |
|---|---|
| Name | 3',4'-Dichloropropionanilide |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 217.006119313 u |
| Formula | C9H9Cl2NO |
| InChI | InChI=1S/C9H9Cl2NO/c1-2-9(13)12-6-3-4-7(10)8(11)5-6/h3-5H,2H2,1H3,(H,12,13) |
| InChIKey | LFULEKSKNZEWOE-UHFFFAOYSA-N |
| SMILES | N(C1=CC=C(C(=C1)Cl)Cl)C(CC)=O |
| Spectrum/Structure Validation Score (Raman) | 0.884006 |