| SpectraBase Compound ID | 7c7j7vN4NV3 |
|---|---|
| InChI | InChI=1S/C36H40N2.C32H12BF24.C8H15O2.Pd/c1-21(2)26-15-11-16-27(22(3)4)33(26)37-35-30-19-9-13-25-14-10-20-31(32(25)30)36(35)38-34-28(23(5)6)17-12-18-29(34)24(7)8;34-25(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;1-5-6-7(9)10-8(2,3)4;/h9-24H,1-8H3;1-12H;1,5-6H2,2-4H3;/q;-1;;+1 |
| InChIKey | KOMJGYYQDSLISI-UHFFFAOYSA-N |
| Mol Weight | 1613.6 g/mol |
| Molecular Formula | C76H67BF24N2O2Pd |
| Exact Mass | 1612.394715 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | GP2lnB1JI72 |
|---|---|
| Name | KOMJGYYQDSLISI-UHFFFAOYSA-N |
| Compound Number | 6C(TERT.-BUTYL) |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C76H67BF24N2O2Pd |
| InChI | InChI=1S/C36H40N2.C32H12BF24.C8H15O2.Pd/c1-21(2)26-15-11-16-27(22(3)4)33(26)37-35-30-19-9-13-25-14-10-20-31(32(25)30)36(35)38-34-28(23(5)6)17-12-18-29(34)24(7)8;34-25(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;1-5-6-7(9)10-8(2,3)4;/h9-24H,1-8H3;1-12H;1,5-6H2,2-4H3;/q;-1;;+1 |
| InChIKey | KOMJGYYQDSLISI-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 | 1613.572 g/mol |
| Sample ID | 57158 |
| Solvent | CD2Cl2 |