| SpectraBase Compound ID | 4sBcf4DMz1y |
|---|---|
| InChI | InChI=1S/C15H15BrO4/c1-11(2)9-10-19-14(17)7-8-15(18)20-13-5-3-12(16)4-6-13/h3-9H,10H2,1-2H3/b8-7+ |
| InChIKey | GOEXWHDUBBXHRQ-BQYQJAHWSA-N |
| Mol Weight | 339.19 g/mol |
| Molecular Formula | C15H15BrO4 |
| Exact Mass | 338.015372 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | GfGW5ygaDaK |
|---|---|
| Name | Fumaric acid, 4-bromophenyl 3-methylbut-2-en-1-yl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 338.015371959 u |
| Formula | C15H15BrO4 |
| InChI | InChI=1S/C15H15BrO4/c1-11(2)9-10-19-14(17)7-8-15(18)20-13-5-3-12(16)4-6-13/h3-9H,10H2,1-2H3/b8-7+ |
| InChIKey | GOEXWHDUBBXHRQ-BQYQJAHWSA-N |
| Molecular Weight | 339.185 g/mol |
| SMILES | C(\C=C\C(OCC=C(C)C)=O)(OC1=CC=C(C=C1)Br)=O |