| SpectraBase Compound ID | E1p22SXpJzl |
|---|---|
| InChI | InChI=1S/C9H15BrO2/c1-8(2)5-7-12-9(11)4-3-6-10/h5H,3-4,6-7H2,1-2H3 |
| InChIKey | PKKFLEBSMPTFBK-UHFFFAOYSA-N |
| Mol Weight | 235.12 g/mol |
| Molecular Formula | C9H15BrO2 |
| Exact Mass | 234.025543 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | IqEICqjMzZV |
|---|---|
| Name | 4-Bromobutanoic acid, 3-methylbut-2-enyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 234.025542721 u |
| Formula | C9H15BrO2 |
| InChI | InChI=1S/C9H15BrO2/c1-8(2)5-7-12-9(11)4-3-6-10/h5H,3-4,6-7H2,1-2H3 |
| InChIKey | PKKFLEBSMPTFBK-UHFFFAOYSA-N |
| Molecular Weight | 235.121 g/mol |
| SMILES | C(Br)CCC(OCC=C(C)C)=O |