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Biphenyl-C2-porphyrin bis-(18)-N2O4 macrocyclic tetraamide
SpectraBase Compound ID CQAUrzmlB0K
InChI InChI=1S/C70H88N8O12/c1-7-55-47(3)57-43-63-68-50(6)60(74-63)42-62-56(8-2)48(4)58(72-62)44-64-67(49(5)59(73-64)41-61(55)71-57)65(79)45-75-17-25-83-33-37-87-29-21-77(22-30-88-38-34-84-26-18-75)69(81)53-13-9-51(10-14-53)52-11-15-54(16-12-52)70(82)78-23-31-89-39-35-85-27-19-76(46-66(68)80)20-28-86-36-40-90-32-24-78/h9-16,41-44,73-74H,7-8,17-40,45-46H2,1-6H3/b57-43-,58-44-,59-41-,60-42-,61-41-,62-42-,63-43-,64-44-
InChIKey WMJOWOBINJNBPW-RXUMDFONSA-N
Mol Weight 1233.5 g/mol
Molecular Formula C70H88N8O12
Exact Mass 1232.65217 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 7gVZsoT1G7N
Name Biphenyl-C2-porphyrin bis-(18)-N2O4 macrocyclic tetraamide
CAS Registry Number 90633-76-4
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C70H88N8O12
InChI InChI=1S/C70H88N8O12/c1-7-55-47(3)57-43-63-68-50(6)60(74-63)42-62-56(8-2)48(4)58(72-62)44-64-67(49(5)59(73-64)41-61(55)71-57)65(79)45-75-17-25-83-33-37-87-29-21-77(22-30-88-38-34-84-26-18-75)69(81)53-13-9-51(10-14-53)52-11-15-54(16-12-52)70(82)78-23-31-89-39-35-85-27-19-76(46-66(68)80)20-28-86-36-40-90-32-24-78/h9-16,41-44,73-74H,7-8,17-40,45-46H2,1-6H3/b57-43-,58-44-,59-41-,60-42-,61-41-,62-42-,63-43-,64-44-
InChIKey WMJOWOBINJNBPW-RXUMDFONSA-N
Instrument Name Bruker WH-270
Literature Reference A. Hamilton, J.M. Lehn, J.L. Sessler, J. Am. Chem. Soc. 108, 5158 (1986).
NMR Standard TMS
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent CDCl3