| SpectraBase Compound ID | C63wR8cmldz |
|---|---|
| InChI | InChI=1S/C9H13BrO2/c1-3-8(2)12-9(11)6-4-5-7-10/h1,8H,4-7H2,2H3 |
| InChIKey | QQDZXNCLKIJSHT-UHFFFAOYSA-N |
| Mol Weight | 233.1 g/mol |
| Molecular Formula | C9H13BrO2 |
| Exact Mass | 232.009893 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 6TEXGQXu2zY |
|---|---|
| Name | 5-Bromovaleric acid, but-3-yn-2-yl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 232.009892657 u |
| Formula | C9H13BrO2 |
| InChI | InChI=1S/C9H13BrO2/c1-3-8(2)12-9(11)6-4-5-7-10/h1,8H,4-7H2,2H3 |
| InChIKey | QQDZXNCLKIJSHT-UHFFFAOYSA-N |
| Molecular Weight | 233.105 g/mol |
| SMILES | C(=O)(OC(C)C#C)CCCCBr |