| SpectraBase Compound ID | Fbkfsqio68 |
|---|---|
| InChI | InChI=1S/C18H14Br2O4/c19-15-5-1-13(2-6-15)11-23-17(21)9-10-18(22)24-12-14-3-7-16(20)8-4-14/h1-10H,11-12H2/b10-9+ |
| InChIKey | NPPWIPKYOROQGS-MDZDMXLPSA-N |
| Mol Weight | 454.11 g/mol |
| Molecular Formula | C18H14Br2O4 |
| Exact Mass | 451.925885 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | JTldOizOSN8 |
|---|---|
| Name | Fumaric acid, di(4-bromobenzoyl) ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 451.925884927 u |
| Formula | C18H14Br2O4 |
| InChI | InChI=1S/C18H14Br2O4/c19-15-5-1-13(2-6-15)11-23-17(21)9-10-18(22)24-12-14-3-7-16(20)8-4-14/h1-10H,11-12H2/b10-9+ |
| InChIKey | NPPWIPKYOROQGS-MDZDMXLPSA-N |
| Molecular Weight | 454.114 g/mol |
| SMILES | C(OC(\C=C\C(OCC1=CC=C(C=C1)Br)=O)=O)C1=CC=C(C=C1)Br |