| SpectraBase Compound ID | 3rzRAneXEPv |
|---|---|
| InChI | InChI=1S/C8H11BrO2/c1-3-7(2)11-8(10)5-4-6-9/h1,7H,4-6H2,2H3 |
| InChIKey | VMCJSLLRIQSERH-UHFFFAOYSA-N |
| Mol Weight | 219.08 g/mol |
| Molecular Formula | C8H11BrO2 |
| Exact Mass | 217.994243 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | IbDJpcqSaHD |
|---|---|
| Name | 4-Bromobutanoic 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 | 217.994242592 u |
| Formula | C8H11BrO2 |
| InChI | InChI=1S/C8H11BrO2/c1-3-7(2)11-8(10)5-4-6-9/h1,7H,4-6H2,2H3 |
| InChIKey | VMCJSLLRIQSERH-UHFFFAOYSA-N |
| Molecular Weight | 219.078 g/mol |
| SMILES | C(CCC(=O)OC(C#C)C)Br |