| SpectraBase Compound ID | ExqURKOGwUl |
|---|---|
| InChI | InChI=1S/C9H9Cl2NO/c1-5(12)9(13)6-2-7(10)4-8(11)3-6/h2-5H,12H2,1H3 |
| InChIKey | NTSNLOWHSOCHLR-UHFFFAOYSA-N |
| Mol Weight | 218.08 g/mol |
| Molecular Formula | C9H9Cl2NO |
| Exact Mass | 217.006119 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | K8GPsMnpc9x |
|---|---|
| Name | 1-(3,5-Dichlorophenyl)-2-aminopropan-1-one |
| 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/c1-5(12)9(13)6-2-7(10)4-8(11)3-6/h2-5H,12H2,1H3 |
| InChIKey | NTSNLOWHSOCHLR-UHFFFAOYSA-N |
| Molecular Weight | 218.083 g/mol |
| SMILES | C1(C(C(N)C)=O)=CC(=CC(=C1)Cl)Cl |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.905087 |