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IFDAULUVKIIUJW-VEXARDHWSA-N

View entire compound with spectra: 1 NMR

IFDAULUVKIIUJW-VEXARDHWSA-N
SpectraBase Compound ID 5zQrW07nZPz
InChI InChI=1S/C60H52N8P2/c1-47-57(59(67(63-47)49-27-11-3-12-28-49)65-69(51-31-15-5-16-32-51,52-33-17-6-18-34-52)53-35-19-7-20-36-53)45-61-43-44-62-46-58-48(2)64-68(50-29-13-4-14-30-50)60(58)66-70(54-37-21-8-22-38-54,55-39-23-9-24-40-55)56-41-25-10-26-42-56/h3-42,45-46H,43-44H2,1-2H3/b61-45+,62-46+
InChIKey IFDAULUVKIIUJW-VEXARDHWSA-N
Mol Weight 947.1 g/mol
Molecular Formula C60H52N8P2
Exact Mass 946.379018 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 2hPIiuKPQYC
Name IFDAULUVKIIUJW-VEXARDHWSA-N
Compound Number 578
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C60H52N8P2
InChI InChI=1S/C60H52N8P2/c1-47-57(59(67(63-47)49-27-11-3-12-28-49)65-69(51-31-15-5-16-32-51,52-33-17-6-18-34-52)53-35-19-7-20-36-53)45-61-43-44-62-46-58-48(2)64-68(50-29-13-4-14-30-50)60(58)66-70(54-37-21-8-22-38-54,55-39-23-9-24-40-55)56-41-25-10-26-42-56/h3-42,45-46H,43-44H2,1-2H3/b61-45+,62-46+
InChIKey IFDAULUVKIIUJW-VEXARDHWSA-N
Literature Reference Author M.BEGTRUP,G.BOYER,P.CABILDO,C.CATIVIELA,R.M.CLARAMUNT,J.ELGU ERO,J.I.GARCIA,C.TOI
Literature Reference Citation MAGN.RES.CHEM.,31,107(1993)
Literature Reference DOI 10.1002/mrc.1260310202
Molecular Weight 947.074 g/mol
Solvent CDCl3
Source File Reference UWVP1962