| SpectraBase Compound ID | HsZ27IYdKX3 |
|---|---|
| InChI | InChI=1S/C10H8BrClO2/c11-9-4-2-8(3-5-9)10(13)14-7-1-6-12/h1-6H,7H2/b6-1+ |
| InChIKey | OKPLUDOVIAXINL-LZCJLJQNSA-N |
| Mol Weight | 275.53 g/mol |
| Molecular Formula | C10H8BrClO2 |
| Exact Mass | 273.93962 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | IJEufuyu4s2 |
|---|---|
| Name | 4-Bromobenzoic acid, 3-chloroprop-2-enyl ester |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 273.939620196 u |
| Formula | C10H8BrClO2 |
| InChI | InChI=1S/C10H8BrClO2/c11-9-4-2-8(3-5-9)10(13)14-7-1-6-12/h1-6H,7H2/b6-1+ |
| InChIKey | OKPLUDOVIAXINL-LZCJLJQNSA-N |
| SMILES | C1=C(C=CC(=C1)C(=O)OC\C=C\Cl)Br |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.92341 |