| SpectraBase Compound ID | IEJWalNvqjh |
|---|---|
| InChI | InChI=1S/C9H14BrClO2/c10-6-3-1-2-5-9(12)13-8-4-7-11/h4,7H,1-3,5-6,8H2/b7-4+ |
| InChIKey | UXLNBKPHAASWHX-QPJJXVBHSA-N |
| Mol Weight | 269.57 g/mol |
| Molecular Formula | C9H14BrClO2 |
| Exact Mass | 267.98657 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 6bpDVJugXK0 |
|---|---|
| Name | 6-Bromohexanoic 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 | 267.986570389 u |
| Formula | C9H14BrClO2 |
| InChI | InChI=1S/C9H14BrClO2/c10-6-3-1-2-5-9(12)13-8-4-7-11/h4,7H,1-3,5-6,8H2/b7-4+ |
| InChIKey | UXLNBKPHAASWHX-QPJJXVBHSA-N |
| SMILES | C(CCCCC(=O)OC\C=C\Cl)Br |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.96946 |