| SpectraBase Compound ID | hLHGZbza0W |
|---|---|
| InChI | InChI=1S/C8H12BrClO2/c9-5-2-1-4-8(11)12-7-3-6-10/h3,6H,1-2,4-5,7H2/b6-3+ |
| InChIKey | WKBNROJJOCKZAN-ZZXKWVIFSA-N |
| Mol Weight | 255.54 g/mol |
| Molecular Formula | C8H12BrClO2 |
| Exact Mass | 253.97092 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 66IZNZbMBN2 |
|---|---|
| Name | 5-Bromovaleric 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 | 253.970920324 u |
| Formula | C8H12BrClO2 |
| InChI | InChI=1S/C8H12BrClO2/c9-5-2-1-4-8(11)12-7-3-6-10/h3,6H,1-2,4-5,7H2/b6-3+ |
| InChIKey | WKBNROJJOCKZAN-ZZXKWVIFSA-N |
| Molecular Weight | 255.539 g/mol |
| SMILES | C(=O)(OC\C=C\Cl)CCCCBr |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.9844 |