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[[PHC-[(N-2,6-IPR2-C6H3)-(2)]]-SC-[CH2SIME3]-[THF-(2)]]-[BPH4]
SpectraBase Compound ID 6fRtb528ufA
InChI InChI=1S/C31H39N2.C24H20B.2C4H8O.C4H11Si.Sc/c1-20(2)25-16-12-17-26(21(3)4)29(25)32-31(24-14-10-9-11-15-24)33-30-27(22(5)6)18-13-19-28(30)23(7)8;1-5-13-21(14-6-1)25(22-15-7-2-8-16-22,23-17-9-3-10-18-23)24-19-11-4-12-20-24;2*1-2-4-5-3-1;1-5(2,3)4;/h9-23H,1-8H3;1-20H;2*1-4H2;1H2,2-4H3;/q2*-1;;;;+2
InChIKey ROTCHZMSOMWJEH-UHFFFAOYSA-N
Mol Weight 1035.3 g/mol
Molecular Formula C67H86BN2O2ScSi
Exact Mass 1034.61107 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 1yvJVSz6mUQ
Name [[PHC-[(N-2,6-IPR2-C6H3)-(2)]]-SC-[CH2SIME3]-[THF-(2)]]-[BPH4]
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C67H86BN2O2ScSi
InChI InChI=1S/C31H39N2.C24H20B.2C4H8O.C4H11Si.Sc/c1-20(2)25-16-12-17-26(21(3)4)29(25)32-31(24-14-10-9-11-15-24)33-30-27(22(5)6)18-13-19-28(30)23(7)8;1-5-13-21(14-6-1)25(22-15-7-2-8-16-22,23-17-9-3-10-18-23)24-19-11-4-12-20-24;2*1-2-4-5-3-1;1-5(2,3)4;/h9-23H,1-8H3;1-20H;2*1-4H2;1H2,2-4H3;/q2*-1;;;;+2
InChIKey ROTCHZMSOMWJEH-UHFFFAOYSA-N
Literature Reference Author S.BAMBIRRA,M.W.BOUWKAMP,A.MEETSMA,B.HESSEN
Literature Reference Citation J.AM.CHEM.SOC.,126,9182(2004)
Literature Reference DOI 10.1021/ja0475297
Molecular Weight 1035.283 g/mol
Solvent THF-D8
Source File Reference UWVN31484