| SpectraBase Compound ID | HqjlomWmSqT |
|---|---|
| InChI | InChI=1S/C11H12BrClO2/c12-8-2-1-3-11(14)15-10-6-4-9(13)5-7-10/h4-7H,1-3,8H2 |
| InChIKey | IMWJAQXFZRMLJX-UHFFFAOYSA-N |
| Mol Weight | 291.57 g/mol |
| Molecular Formula | C11H12BrClO2 |
| Exact Mass | 289.97092 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | CmZ7PC60c7s |
|---|---|
| Name | 5-Bromovaleric acid, 4-chlorophenyl ester |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 289.970920324 u |
| Formula | C11H12BrClO2 |
| InChI | InChI=1S/C11H12BrClO2/c12-8-2-1-3-11(14)15-10-6-4-9(13)5-7-10/h4-7H,1-3,8H2 |
| InChIKey | IMWJAQXFZRMLJX-UHFFFAOYSA-N |
| SMILES | C1(=CC=C(C=C1)OC(CCCCBr)=O)Cl |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.871827 |