| SpectraBase Compound ID | EYuoWw1oWN9 |
|---|---|
| InChI | InChI=1S/C12H21BrO2/c1-3-4-5-6-8-11(2)15-12(14)9-7-10-13/h6,8,11H,3-5,7,9-10H2,1-2H3/b8-6+ |
| InChIKey | YGSZKEKARQJBAA-SOFGYWHQSA-N |
| Mol Weight | 277.2 g/mol |
| Molecular Formula | C12H21BrO2 |
| Exact Mass | 276.072493 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 5Mw0Pj3eJwQ |
|---|---|
| Name | 4-Bromobutanoic acid, oct-3-en-2-yl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 276.072492914 u |
| Formula | C12H21BrO2 |
| InChI | InChI=1S/C12H21BrO2/c1-3-4-5-6-8-11(2)15-12(14)9-7-10-13/h6,8,11H,3-5,7,9-10H2,1-2H3/b8-6+ |
| InChIKey | YGSZKEKARQJBAA-SOFGYWHQSA-N |
| SMILES | C(CCC(OC(\C=C\CCCC)C)=O)Br |