| SpectraBase Compound ID | CDUUEu3VBEQ |
|---|---|
| InChI | InChI=1S/C10H11Cl2NO/c1-6(13-2)10(14)7-3-8(11)5-9(12)4-7/h3-6,13H,1-2H3 |
| InChIKey | JHEMILNWPCQARX-UHFFFAOYSA-N |
| Mol Weight | 232.11 g/mol |
| Molecular Formula | C10H11Cl2NO |
| Exact Mass | 231.021769 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 8lVGWgdqlXT |
|---|---|
| Name | 3,5-Dichloromethcathinone |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 231.021769377 u |
| Formula | C10H11Cl2NO |
| InChI | InChI=1S/C10H11Cl2NO/c1-6(13-2)10(14)7-3-8(11)5-9(12)4-7/h3-6,13H,1-2H3 |
| InChIKey | JHEMILNWPCQARX-UHFFFAOYSA-N |
| Molecular Weight | 232.110 g/mol |
| SMILES | N(C(C(C=1C=C(C=C(C1)Cl)Cl)=O)C)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.909989 |