| SpectraBase Compound ID | J1vZPJjs9pf |
|---|---|
| InChI | InChI=1S/C13H13BrO4/c1-2-17-12(15)7-8-13(16)18-9-10-3-5-11(14)6-4-10/h3-8H,2,9H2,1H3/b8-7+ |
| InChIKey | SQPYYYRUDYNOGU-BQYQJAHWSA-N |
| Mol Weight | 313.15 g/mol |
| Molecular Formula | C13H13BrO4 |
| Exact Mass | 311.999722 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | JEjkCQFVeII |
|---|---|
| Name | Fumaric acid, 4-bromobenzyl ethyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 311.999721895 u |
| Formula | C13H13BrO4 |
| InChI | InChI=1S/C13H13BrO4/c1-2-17-12(15)7-8-13(16)18-9-10-3-5-11(14)6-4-10/h3-8H,2,9H2,1H3/b8-7+ |
| InChIKey | SQPYYYRUDYNOGU-BQYQJAHWSA-N |
| Molecular Weight | 313.147 g/mol |
| SMILES | CCOC(\C=C\C(OCC1=CC=C(C=C1)Br)=O)=O |