| SpectraBase Compound ID | 8Xf4jZAJU76 |
|---|---|
| InChI | InChI=1S/C9H17BrO2/c1-7(2)8(3)12-9(11)5-4-6-10/h7-8H,4-6H2,1-3H3 |
| InChIKey | YRPLOBCIKDOYHQ-UHFFFAOYSA-N |
| Mol Weight | 237.14 g/mol |
| Molecular Formula | C9H17BrO2 |
| Exact Mass | 236.041193 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | HZd2MzebtBL |
|---|---|
| Name | 4-Bromobutyric acid, 3-methylbut-2-yl ester |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 236.041192785 u |
| Formula | C9H17BrO2 |
| InChI | InChI=1S/C9H17BrO2/c1-7(2)8(3)12-9(11)5-4-6-10/h7-8H,4-6H2,1-3H3 |
| InChIKey | YRPLOBCIKDOYHQ-UHFFFAOYSA-N |
| Molecular Weight | 237.137 g/mol |
| SMILES | C(CCCBr)(=O)OC(C(C)C)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.918625 |