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Mesoporphyrin-ii 4,4'-(4,4'-bipyridine-2,2'-diyl)-dibutyl diester

View entire compound with spectra: 1 NMR

Mesoporphyrin-ii 4,4'-(4,4'-bipyridine-2,2'-diyl)-dibutyl diester
SpectraBase Compound ID GUVRoeNKSGr
InChI InChI=1S/C52H58N6O4/c1-7-39-31(3)43-29-49-42-16-18-52(60)62-24-12-10-14-38-26-36(20-22-54-38)35-19-21-53-37(25-35)13-9-11-23-61-51(59)17-15-41-33(5)45(27-47(39)55-43)57-50(41)30-44-32(4)40(8-2)48(56-44)28-46(58-49)34(42)6/h19-22,25-30,57-58H,7-18,23-24H2,1-6H3/b43-29-,44-30-,45-27-,46-28?,47-27-,48-28?,49-29-,50-30-
InChIKey SSRFMLJHAURFKJ-JTPVOXSZSA-N
Mol Weight 831.1 g/mol
Molecular Formula C52H58N6O4
Exact Mass 830.451954 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID JL1AlEfjOTG
Name Mesoporphyrin-ii 4,4'-(4,4'-bipyridine-2,2'-diyl)-dibutyl diester
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C52H58N6O4
InChI InChI=1S/C52H58N6O4/c1-7-39-31(3)43-29-49-42-16-18-52(60)62-24-12-10-14-38-26-36(20-22-54-38)35-19-21-53-37(25-35)13-9-11-23-61-51(59)17-15-41-33(5)45(27-47(39)55-43)57-50(41)30-44-32(4)40(8-2)48(56-44)28-46(58-49)34(42)6/h19-22,25-30,57-58H,7-18,23-24H2,1-6H3/b43-29-,44-30-,45-27-,46-28?,47-27-,48-28?,49-29-,50-30-
InChIKey SSRFMLJHAURFKJ-JTPVOXSZSA-N
Instrument Name Bruker WM-250
Literature Reference P. Leighton, J.K. Sanders, J. Chem. Soc. Perkin I 2385 (1987).
NMR Standard CD2Cl2
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent CD2Cl2