![[PD(C(10)H(12)C(O)ME)(P-AN-BIAN)]SO(3)CF(3);MAJOR-ISOMER](/api/spectrum/AQN2UA9jSKa/structure.png?h=300&w=458 "[PD(C(10)H(12)C(O)ME)(P-AN-BIAN)]SO(3)CF(3);MAJOR-ISOMER")
| SpectraBase Compound ID | HN6UlrSSKUd |
|---|---|
| InChI | InChI=1S/C26H20N2O2.C12H15O.CHF3O3S.Pd/c1-29-20-13-9-18(10-14-20)27-25-22-7-3-5-17-6-4-8-23(24(17)22)26(25)28-19-11-15-21(30-2)16-12-19;1-7(13)11-5-8-6-12(11)10-4-2-3-9(8)10;2-1(3,4)8(5,6)7;/h3-16H,1-2H3;2,4-5,8-12H,3,6H2,1H3;(H,5,6,7);/q;;;+1/p-1/t;8-,9+,10+,11-,12+;;/m.0../s1 |
| InChIKey | OHAJINMRYVUDPE-IXRHIFANSA-M |
| Mol Weight | 823.2 g/mol |
| Molecular Formula | C39H35F3N2O6PdS |
| Exact Mass | 822.120273 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | AQN2UA9jSKa |
|---|---|
| Name | [PD(C(10)H(12)C(O)ME)(P-AN-BIAN)]SO(3)CF(3);MINOR-ISOMER |
| Compound Number | 11A |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C39H35F3N2O6PdS |
| InChI | InChI=1S/C26H20N2O2.C12H15O.CHF3O3S.Pd/c1-29-20-13-9-18(10-14-20)27-25-22-7-3-5-17-6-4-8-23(24(17)22)26(25)28-19-11-15-21(30-2)16-12-19;1-7(13)11-5-8-6-12(11)10-4-2-3-9(8)10;2-1(3,4)8(5,6)7;/h3-16H,1-2H3;2,4-5,8-12H,3,6H2,1H3;(H,5,6,7);/q;;;+1/p-1/t;8-,9+,10+,11-,12+;;/m.0../s1 |
| InChIKey | OHAJINMRYVUDPE-IXRHIFANSA-M |
| Literature Reference Author | R.V.ASSELT,E.E.C.G.GIELENS,R.E.RUELKE,K.VRIEZE,C.J.ELSEVIER |
| Literature Reference Citation | J.AM.CHEM.SOC.,116,977(1994) |
| Literature Reference DOI | 10.1021/ja00082a020 |
| Molecular Weight | 823.192 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWLU4712 |