| SpectraBase Compound ID | LjR1CPDjP15 |
|---|---|
| InChI | InChI=1S/C32H12BF24.C28H40N2.C8H15O2.Pd/c34-25(35,36)13-1-14(26(37,38)39)6-21(5-13)33(22-7-15(27(40,41)42)2-16(8-22)28(43,44)45,23-9-17(29(46,47)48)3-18(10-23)30(49,50)51)24-11-19(31(52,53)54)4-20(12-24)32(55,56)57;1-17(2)23-13-11-14-24(18(3)4)27(23)29-21(9)22(10)30-28-25(19(5)6)15-12-16-26(28)20(7)8;1-5-6-7(9)10-8(2,3)4;/h1-12H;11-20H,1-10H3;5H,6H2,1-4H3;/q-1;;;+1 |
| InChIKey | DTIHJLRMXHAJKE-UHFFFAOYSA-N |
| Mol Weight | 1517.5 g/mol |
| Molecular Formula | C68H67BF24N2O2Pd |
| Exact Mass | 1516.394715 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 1lM1gYspbME |
|---|---|
| Name | DTIHJLRMXHAJKE-UHFFFAOYSA-N |
| Compound Number | 5B(TERT.-BUTYL) |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C68H67BF24N2O2Pd |
| InChI | InChI=1S/C32H12BF24.C28H40N2.C8H15O2.Pd/c34-25(35,36)13-1-14(26(37,38)39)6-21(5-13)33(22-7-15(27(40,41)42)2-16(8-22)28(43,44)45,23-9-17(29(46,47)48)3-18(10-23)30(49,50)51)24-11-19(31(52,53)54)4-20(12-24)32(55,56)57;1-17(2)23-13-11-14-24(18(3)4)27(23)29-21(9)22(10)30-28-25(19(5)6)15-12-16-26(28)20(7)8;1-5-6-7(9)10-8(2,3)4;/h1-12H;11-20H,1-10H3;5H,6H2,1-4H3;/q-1;;;+1 |
| InChIKey | DTIHJLRMXHAJKE-UHFFFAOYSA-N |
| Literature Reference Author | L.K.JHONSON,S.MECKING,M.BROOKHART |
| Literature Reference Citation | J.AM.CHEM.SOC.,118,267(1996) |
| Literature Reference DOI | 10.1021/ja953247i |
| Molecular Weight | 1517.484 g/mol |
| Sample ID | 57157 |
| Solvent | CD2Cl2 |