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MIBPETZXKMVZFG-UHFFFAOYSA-N

View entire compound with spectra: 1 NMR

MIBPETZXKMVZFG-UHFFFAOYSA-N
SpectraBase Compound ID Bq2Xt9wAWyU
InChI InChI=1S/C32H12BF24.C28H40N2.C5H9O2.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;1-4(2)5(6)7-3;/h1-12H;11-20H,1-10H3;4H,1H2,2-3H3;/q-1;;;+1
InChIKey MIBPETZXKMVZFG-UHFFFAOYSA-N
Mol Weight 1475.4 g/mol
Molecular Formula C65H61BF24N2O2Pd
Exact Mass 1474.347765 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID BQKohBLX2kJ
Name MIBPETZXKMVZFG-UHFFFAOYSA-N
Compound Number 5'B(ME)
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C65H61BF24N2O2Pd
InChI InChI=1S/C32H12BF24.C28H40N2.C5H9O2.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;1-4(2)5(6)7-3;/h1-12H;11-20H,1-10H3;4H,1H2,2-3H3;/q-1;;;+1
InChIKey MIBPETZXKMVZFG-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 1475.403 g/mol
Sample ID 57149
Solvent CD2Cl2