| SpectraBase Compound ID | 44DQBlwqk3J |
|---|---|
| InChI | InChI=1S/C9H11BrO2/c1-2-3-4-8-12-9(11)6-5-7-10/h1,3-4H,5-8H2 |
| InChIKey | DBHFYGRAUDTJAT-UHFFFAOYSA-N |
| Mol Weight | 231.09 g/mol |
| Molecular Formula | C9H11BrO2 |
| Exact Mass | 229.994243 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | CHGXCJVrBXh |
|---|---|
| Name | 4-Bromobutanoic acid, pent-2-en-4-ynyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 229.994242592 u |
| Formula | C9H11BrO2 |
| InChI | InChI=1S/C9H11BrO2/c1-2-3-4-8-12-9(11)6-5-7-10/h1,3-4H,5-8H2 |
| InChIKey | DBHFYGRAUDTJAT-UHFFFAOYSA-N |
| Molecular Weight | 231.089 g/mol |
| SMILES | C(CCC(OCC=CC#C)=O)Br |