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UTCVBEDXKWKBEP-PYKRNIBDSA-N

View entire compound with spectra: 2 NMR

UTCVBEDXKWKBEP-PYKRNIBDSA-N
SpectraBase Compound ID LrpFV0dW0jw
InChI InChI=1S/C40H24BO4.2C21H22N2O2.Cu/c1-5-13-29-25(9-1)17-21-33-37(29)38-30-14-6-2-10-26(30)18-22-34(38)43-41(42-33)44-35-23-19-27-11-3-7-15-31(27)39(35)40-32-16-8-4-12-28(32)20-24-36(40)45-41;2*1-21(2,19-22-17(13-24-19)15-9-5-3-6-10-15)20-23-18(14-25-20)16-11-7-4-8-12-16;/h1-24H;2*3-12,17-18H,13-14H2,1-2H3;/q-1;;;+1/t;2*17-,18-;/m.10./s1
InChIKey UTCVBEDXKWKBEP-PYKRNIBDSA-N
Mol Weight 1311.8 g/mol
Molecular Formula C82H68BCuN4O8
Exact Mass 1310.442617 g/mol

11B Nuclear Magnetic Resonance (NMR) Chemical Shifts

11B Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Az1nvJlYFdU
Name UTCVBEDXKWKBEP-PYKRNIBDSA-N
Compound Number 4
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C82H68BCuN4O8
InChI InChI=1S/C40H24BO4.2C21H22N2O2.Cu/c1-5-13-29-25(9-1)17-21-33-37(29)38-30-14-6-2-10-26(30)18-22-34(38)43-41(42-33)44-35-23-19-27-11-3-7-15-31(27)39(35)40-32-16-8-4-12-28(32)20-24-36(40)45-41;2*1-21(2,19-22-17(13-24-19)15-9-5-3-6-10-15)20-23-18(14-25-20)16-11-7-4-8-12-16;/h1-24H;2*3-12,17-18H,13-14H2,1-2H3;/q-1;;;+1/t;2*17-,18-;/m.10./s1
InChIKey UTCVBEDXKWKBEP-PYKRNIBDSA-N
Literature Reference Author D.B.LLEWELLYN,B.A.ARNDTSEN
Literature Reference Citation CAN.J.CHEM.,81,1280(2003)
Literature Reference DOI 10.1139/v03-141
Solvent CD2Cl2
Source File Reference UWMS28680