| SpectraBase Compound ID | 8kKBoo58via |
|---|---|
| InChI | InChI=1S/C14H15BrO4/c1-2-3-10-18-13(16)8-9-14(17)19-12-6-4-11(15)5-7-12/h4-9H,2-3,10H2,1H3/b9-8+ |
| InChIKey | FNRPKYWHJCLDPZ-CMDGGOBGSA-N |
| Mol Weight | 327.17 g/mol |
| Molecular Formula | C14H15BrO4 |
| Exact Mass | 326.015372 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | DTjg77wotwb |
|---|---|
| Name | Fumaric acid, 4-bromophenyl butyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 326.015371959 u |
| Formula | C14H15BrO4 |
| InChI | InChI=1S/C14H15BrO4/c1-2-3-10-18-13(16)8-9-14(17)19-12-6-4-11(15)5-7-12/h4-9H,2-3,10H2,1H3/b9-8+ |
| InChIKey | FNRPKYWHJCLDPZ-CMDGGOBGSA-N |
| Molecular Weight | 327.174 g/mol |
| SMILES | C(\C=C\C(OC1=CC=C(C=C1)Br)=O)(OCCCC)=O |