| SpectraBase Compound ID | KTmkRxm0N8f |
|---|---|
| InChI | InChI=1S/C8H6BrClO/c9-7-3-1-6(2-4-7)8(11)5-10/h1-4H,5H2 |
| InChIKey | HCQNNQFCUAGJBD-UHFFFAOYSA-N |
| Mol Weight | 233.49 g/mol |
| Molecular Formula | C8H6BrClO |
| Exact Mass | 231.929056 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | GQYBy1CuIAz |
|---|---|
| Name | 1-(4-Bromophenyl)-2-chloro-ethanone |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 231.929055512 u |
| Formula | C8H6BrClO |
| InChI | InChI=1S/C8H6BrClO/c9-7-3-1-6(2-4-7)8(11)5-10/h1-4H,5H2 |
| InChIKey | HCQNNQFCUAGJBD-UHFFFAOYSA-N |
| Molecular Weight | 233.492 g/mol |
| SMILES | C(=O)(C=1C=CC(=CC1)Br)CCl |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.903882 |