| SpectraBase Compound ID | 1eLEhr9gtUv |
|---|---|
| InChI | InChI=1S/C8H5BrCl2O/c9-4-8(12)6-2-1-5(10)3-7(6)11/h1-3H,4H2 |
| InChIKey | DASJDMQCPIDJIF-UHFFFAOYSA-N |
| Mol Weight | 267.94 g/mol |
| Molecular Formula | C8H5BrCl2O |
| Exact Mass | 265.890083 g/mol |
Raman Spectrum
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| SpectraBase Spectrum ID | 3BIyjFrGA8p |
|---|---|
| Name | 2-Bromo-2',4'-dichloroacetophenone |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 265.890083180 u |
| Formula | C8H5BrCl2O |
| InChI | InChI=1S/C8H5BrCl2O/c9-4-8(12)6-2-1-5(10)3-7(6)11/h1-3H,4H2 |
| InChIKey | DASJDMQCPIDJIF-UHFFFAOYSA-N |
| SMILES | C1=C(C(=CC(=C1)Cl)Cl)C(CBr)=O |
| Spectrum/Structure Validation Score (Raman) | 0.91981 |