| SpectraBase Compound ID | CO63NbpiozY |
|---|---|
| InChI | InChI=1S/C13H23BrO2/c1-3-4-5-6-9-12(2)16-13(15)10-7-8-11-14/h6,9,12H,3-5,7-8,10-11H2,1-2H3/b9-6+ |
| InChIKey | PIOWGKOAQGEQCT-RMKNXTFCSA-N |
| Mol Weight | 291.23 g/mol |
| Molecular Formula | C13H23BrO2 |
| Exact Mass | 290.088143 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 6119WckULcA |
|---|---|
| Name | 5-Bromovaleric 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 | 290.088142979 u |
| Formula | C13H23BrO2 |
| InChI | InChI=1S/C13H23BrO2/c1-3-4-5-6-9-12(2)16-13(15)10-7-8-11-14/h6,9,12H,3-5,7-8,10-11H2,1-2H3/b9-6+ |
| InChIKey | PIOWGKOAQGEQCT-RMKNXTFCSA-N |
| SMILES | C(=O)(OC(\C=C\CCCC)C)CCCCBr |