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5,10,15,20-Tetra(4-pyridyl)-21H,23H-porphine

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5,10,15,20-Tetra(4-pyridyl)-21H,23H-porphine
SpectraBase Compound ID I49hkoKvjXy
InChI InChI=1S/C40H26N8/c1-2-30-38(26-11-19-42-20-12-26)32-5-6-34(47-32)40(28-15-23-44-24-16-28)36-8-7-35(48-36)39(27-13-21-43-22-14-27)33-4-3-31(46-33)37(29(1)45-30)25-9-17-41-18-10-25/h1-24,45,48H/b37-29-,37-31-,38-30-,38-32-,39-33-,39-35-,40-34-,40-36-
InChIKey DNZSHSJERXNJGX-XXDGMDECSA-N
Mol Weight 618.7 g/mol
Molecular Formula C40H26N8
Exact Mass 618.228043 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 6QVrpken3Xg
Name 5,10,15,20-Tetra(4-pyridyl)-21H,23H-porphine
Comments Computed using HOSE algorithm
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Exact Mass 618.228042869 u
Formula C40H26N8
InChI InChI=1S/C40H26N8/c1-2-30-38(26-11-19-42-20-12-26)32-5-6-34(47-32)40(28-15-23-44-24-16-28)36-8-7-35(48-36)39(27-13-21-43-22-14-27)33-4-3-31(46-33)37(29(1)45-30)25-9-17-41-18-10-25/h1-24,45,48H/b37-29-,37-31-,38-30-,38-32-,39-33-,39-35-,40-34-,40-36-
InChIKey DNZSHSJERXNJGX-XXDGMDECSA-N
Molecular Weight 618.704 g/mol
SMILES C1=NC=CC(=C1)C=1C2=CC=C(N2)C(=C2C=CC(C(=C3C=CC(=C(C=4C=CC1N4)C1=CC=NC=C1)N3)C1=CC=NC=C1)=N2)C1=CC=NC=C1