| SpectraBase Compound ID | HM9WFfRS3eP |
|---|---|
| InChI | InChI=1S/C10H9Cl2NO2/c1-6(14)4-10(15)13-9-5-7(11)2-3-8(9)12/h2-3,5H,4H2,1H3,(H,13,15) |
| InChIKey | HLMZZYYGOKOOTA-UHFFFAOYSA-N |
| Mol Weight | 246.09 g/mol |
| Molecular Formula | C10H9Cl2NO2 |
| Exact Mass | 245.001034 g/mol |
Raman Spectrum
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| SpectraBase Spectrum ID | BJryP5Jlpsq |
|---|---|
| Name | 2',5'-Dichloroacetoacetanilide |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 245.001033932 u |
| Formula | C10H9Cl2NO2 |
| InChI | InChI=1S/C10H9Cl2NO2/c1-6(14)4-10(15)13-9-5-7(11)2-3-8(9)12/h2-3,5H,4H2,1H3,(H,13,15) |
| InChIKey | HLMZZYYGOKOOTA-UHFFFAOYSA-N |
| Molecular Weight | 246.093 g/mol |
| SMILES | N(C(CC(C)=O)=O)C1=CC(=CC=C1Cl)Cl |
| Spectrum/Structure Validation Score (Raman) | 0.901957 |