| SpectraBase Compound ID | 1D2ZABwdTho |
|---|---|
| InChI | InChI=1S/4C13H11BrF3NO5/c2*1-22-11(20)9(12(21)23-6-13(15,16)17)10(19)18-8-4-2-7(14)3-5-8;2*1-22-11(20)9(12(21)23-6-13(15,16)17)10(19)18-8-4-2-3-7(14)5-8/h2*2-5,9H,6H2,1H3,(H,18,19);2*2-5,18-19H,6H2,1H3/b;;2*10-9- |
| InChIKey | YDWXYDLHRGZEMD-OCVTVRMYSA-N |
| Mol Weight | 1592.53 g/mol |
| Molecular Formula | C52H44Br4F12N4O20 |
| Exact Mass | 1587.90908 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 1tmJ4Fe2Lj3 |
|---|---|
| Name | MIXTURE |
| Compound Number | 7C/8C |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C52H44Br4F12N4O20 |
| InChI | InChI=1S/4C13H11BrF3NO5/c2*1-22-11(20)9(12(21)23-6-13(15,16)17)10(19)18-8-4-2-7(14)3-5-8;2*1-22-11(20)9(12(21)23-6-13(15,16)17)10(19)18-8-4-2-3-7(14)5-8/h2*2-5,9H,6H2,1H3,(H,18,19);2*2-5,18-19H,6H2,1H3/b;;2*10-9- |
| InChIKey | YDWXYDLHRGZEMD-OCVTVRMYSA-N |
| Literature Reference Author | Y.X.LEI,G.CERIONI,Z.RAPPOPORT |
| Literature Reference Citation | J.ORG.CHEM.,66,8379(2001) |
| Literature Reference DOI | 10.1021/jo010487+ |
| Molecular Weight | 1592.533 g/mol |
| Solvent | CCl4 |
| Source File Reference | UWLU29216 |