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21-N-METHYL-5,10,15,20-TETRAPHENYLPORPHYRIN;NCH3TPPH

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21-N-METHYL-5,10,15,20-TETRAPHENYLPORPHYRIN;NCH3TPPH
SpectraBase Compound ID AKh5DKBcHHZ
InChI InChI=1S/C45H32N4/c1-49-40-28-29-41(49)45(33-20-12-5-13-21-33)39-27-25-37(48-39)43(31-16-8-3-9-17-31)35-23-22-34(46-35)42(30-14-6-2-7-15-30)36-24-26-38(47-36)44(40)32-18-10-4-11-19-32/h2-29,46H,1H3/b42-34-,42-36-,43-35-,43-37-,44-38-,44-40-,45-39-,45-41-
InChIKey REOVXJGGACYFFT-BQLHLCMASA-N
Mol Weight 628.8 g/mol
Molecular Formula C45H32N4
Exact Mass 628.262697 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 1aFUjjvMaGe
Name 21-N-METHYL-5,10,15,20-TETRAPHENYLPORPHYRIN;NCH3TPPH
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C45H32N4
InChI InChI=1S/C45H32N4/c1-49-40-28-29-41(49)45(33-20-12-5-13-21-33)39-27-25-37(48-39)43(31-16-8-3-9-17-31)35-23-22-34(46-35)42(30-14-6-2-7-15-30)36-24-26-38(47-36)44(40)32-18-10-4-11-19-32/h2-29,46H,1H3/b42-34-,42-36-,43-35-,43-37-,44-38-,44-40-,45-39-,45-41-
InChIKey REOVXJGGACYFFT-BQLHLCMASA-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 628.776 g/mol
Solvent CDCl3
Source File Reference UWMZ2779