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[(PHEN)-PD-[ETA-(1),ETA-(2)-(13)-CH-((13)-CH2SIET3)-(13)CH2C-(CO2ME)2-(13)-CH2-(13)-CH=(13)CH2]]-(+)-[BAR4]-(-)
SpectraBase Compound ID BfyIOewmRe1
InChI InChI=1S/C32H12BF24.C17H29O4Si.C12H8N2.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;1-7-12-17(15(18)20-5,16(19)21-6)13-11-14-22(8-2,9-3)10-4;1-3-9-5-6-10-4-2-8-14-12(10)11(9)13-7-1;/h1-12H;1,11H,8-10,12-14H2,2-6H3;1-8H;/q-1;;;+1/i;1+1,7+1,11+1,12+1,13+1,14+1;;
InChIKey YOEGMKHAOFGDPH-KMRIULGLSA-N
Mol Weight 1481.3 g/mol
Molecular Formula C5513C6H49BF24N2O4PdSi
Exact Mass 1480.24075 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID JTgU7AS4R85
Name [(PHEN)-PD-[ETA-(1),ETA-(2)-(13)-CH-((13)-CH2SIET3)-(13)CH2C-(CO2ME)2-(13)-CH2-(13)-CH=(13)CH2]]-(+)-[BAR4]-(-)
Compound Number 5-(13)-C6
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C5513C6H49BF24N2O4PdSi
InChI InChI=1S/C32H12BF24.C17H29O4Si.C12H8N2.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;1-7-12-17(15(18)20-5,16(19)21-6)13-11-14-22(8-2,9-3)10-4;1-3-9-5-6-10-4-2-8-14-12(10)11(9)13-7-1;/h1-12H;1,11H,8-10,12-14H2,2-6H3;1-8H;/q-1;;;+1/i;1+1,7+1,11+1,12+1,13+1,14+1;;
InChIKey YOEGMKHAOFGDPH-KMRIULGLSA-N
Literature Reference Author N.S.PERCH,R.A.WIDENHOEFER
Literature Reference Citation J.AM.CHEM.SOC.,126,6332(2004)
Literature Reference DOI 10.1021/ja049806f
Molecular Weight 1481.302 g/mol
Sample ID 33168
Solvent CD2Cl2