| SpectraBase Compound ID | 3iwOpqQjfHC |
|---|---|
| InChI | InChI=1S/C6H10BrClO/c1-3-5(9)6(7,8)4-2/h3-4H2,1-2H3 |
| InChIKey | ZDTAZHUUTGWGDS-UHFFFAOYSA-N |
| Mol Weight | 213.5 g/mol |
| Molecular Formula | C6H10BrClO |
| Exact Mass | 211.960356 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | GYYKdZiKMIw |
|---|---|
| Name | 3-Hexanone, 4-bromo-4-chloro- |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 211.960355641 u |
| Formula | C6H10BrClO |
| InChI | InChI=1S/C6H10BrClO/c1-3-5(9)6(7,8)4-2/h3-4H2,1-2H3 |
| InChIKey | ZDTAZHUUTGWGDS-UHFFFAOYSA-N |
| Molecular Weight | 213.502 g/mol |
| SMILES | C(C(=O)CC)(Cl)(Br)CC |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.962353 |