| SpectraBase Compound ID | 7tjvQ9HNzvU |
|---|---|
| InChI | InChI=1S/C10H10BrClO/c11-7-1-2-10(13)8-3-5-9(12)6-4-8/h3-6H,1-2,7H2 |
| InChIKey | VQZCACGMEDIQKK-UHFFFAOYSA-N |
| Mol Weight | 261.55 g/mol |
| Molecular Formula | C10H10BrClO |
| Exact Mass | 259.960356 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 4TfOwnvwj0U |
|---|---|
| Name | 4-Bromo-4'-chlorobutyrophenone |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 259.960355641 u |
| Formula | C10H10BrClO |
| InChI | InChI=1S/C10H10BrClO/c11-7-1-2-10(13)8-3-5-9(12)6-4-8/h3-6H,1-2,7H2 |
| InChIKey | VQZCACGMEDIQKK-UHFFFAOYSA-N |
| SMILES | C1=C(C=CC(=C1)Cl)C(CCCBr)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.938812 |