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5,10,15,20-TETRA-(PARA-TOLYL)-21-CARBAPORPHYRIN;CTTPH2

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5,10,15,20-TETRA-(PARA-TOLYL)-21-CARBAPORPHYRIN;CTTPH2
SpectraBase Compound ID 4r0aARHAXky
InChI InChI=1S/C48H38N4/c1-29-5-13-33(14-6-29)45-37-27-44(49-28-37)48(36-19-11-32(4)12-20-36)43-26-25-42(52-43)47(35-17-9-31(3)10-18-35)41-24-23-40(51-41)46(39-22-21-38(45)50-39)34-15-7-30(2)8-16-34/h5-28,50,52H,1-4H3/b45-37+,45-38-,46-39-,46-40-,47-41-,47-42-,48-43-,48-44+
InChIKey QIIFUYSTJFMUAX-BTANPNPPSA-N
Mol Weight 670.9 g/mol
Molecular Formula C48H38N4
Exact Mass 670.309647 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Iad46lGBKLc
Name 5,10,15,20-TETRA-(PARA-TOLYL)-21-CARBAPORPHYRIN;CTTPH2
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C48H38N4
InChI InChI=1S/C48H38N4/c1-29-5-13-33(14-6-29)45-37-27-44(49-28-37)48(36-19-11-32(4)12-20-36)43-26-25-42(52-43)47(35-17-9-31(3)10-18-35)41-24-23-40(51-41)46(39-22-21-38(45)50-39)34-15-7-30(2)8-16-34/h5-28,50,52H,1-4H3/b45-37+,45-38-,46-39-,46-40-,47-41-,47-42-,48-43-,48-44+
InChIKey QIIFUYSTJFMUAX-BTANPNPPSA-N
Literature Reference Author P.J.CHMIELEWSKI,L.LATOS-GRAZYNSKI
Literature Reference Citation J.CHEM.SOC.PERKIN-2,503(1995)
Literature Reference DOI 10.1039/p29950000503
Molecular Weight 670.857 g/mol
Solvent CDCl3
Source File Reference UWMZ2777