| SpectraBase Compound ID | 2lPXlS9CfCd |
|---|---|
| InChI | InChI=1S/C12H19BrO3/c1-2-16-12(15)9-7-5-3-4-6-8-11(14)10-13/h7,9H,2-6,8,10H2,1H3/b9-7+ |
| InChIKey | XFOXGEYAXZXIET-VQHVLOKHSA-N |
| Mol Weight | 291.19 g/mol |
| Molecular Formula | C12H19BrO3 |
| Exact Mass | 290.051757 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | JQgY9YqO6Ra |
|---|---|
| Name | Ethyl (E)-10-bromo-9-oxodec-2-enoate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 290.051757469 u |
| Formula | C12H19BrO3 |
| InChI | InChI=1S/C12H19BrO3/c1-2-16-12(15)9-7-5-3-4-6-8-11(14)10-13/h7,9H,2-6,8,10H2,1H3/b9-7+ |
| InChIKey | XFOXGEYAXZXIET-VQHVLOKHSA-N |
| SMILES | C(\C=C\CCCCCC(=O)CBr)(=O)OCC |