| SpectraBase Compound ID | ERgpw6K32Z9 |
|---|---|
| InChI | InChI=1S/C11H17BrO2/c1-2-14-11(13)9-7-5-3-4-6-8-10-12/h4,6-7,9H,2-3,5,8,10H2,1H3/b6-4+,9-7+ |
| InChIKey | SGOIMOQVKCCJSB-ADIUVMHLSA-N |
| Mol Weight | 261.16 g/mol |
| Molecular Formula | C11H17BrO2 |
| Exact Mass | 260.041193 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | CQyIJhT0e5k |
|---|---|
| Name | (2E,6E)-9-Bromonona-2,6-dienoic acid ethyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 260.041192785 u |
| Formula | C11H17BrO2 |
| InChI | InChI=1S/C11H17BrO2/c1-2-14-11(13)9-7-5-3-4-6-8-10-12/h4,6-7,9H,2-3,5,8,10H2,1H3/b6-4+,9-7+ |
| InChIKey | SGOIMOQVKCCJSB-ADIUVMHLSA-N |
| Molecular Weight | 261.159 g/mol |
| SMILES | C(\C=C\CC\C=C\CCBr)(=O)OCC |