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2-N-METHYL-5,10,15,20-TETRAPHENYL-21-CARBAPORPHYRIN;2-NCH3TPPH

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2-N-METHYL-5,10,15,20-TETRAPHENYL-21-CARBAPORPHYRIN;2-NCH3TPPH
SpectraBase Compound ID FEPEfmLNrln
InChI InChI=1S/C45H32N4/c1-49-29-34-28-41(49)45(33-20-12-5-13-21-33)40-27-26-39(48-40)44(32-18-10-4-11-19-32)38-25-24-37(47-38)43(31-16-8-3-9-17-31)36-23-22-35(46-36)42(34)30-14-6-2-7-15-30/h2-29,47H,1H3/b42-35-,43-37-,44-38-,45-40-
InChIKey DKHSMOMHVPDDHC-FSERTBTCSA-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 9uCslPPwRZu
Name 2-N-METHYL-5,10,15,20-TETRAPHENYL-21-CARBAPORPHYRIN;2-NCH3TPPH
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C45H32N4
InChI InChI=1S/C45H32N4/c1-49-29-34-28-41(49)45(33-20-12-5-13-21-33)40-27-26-39(48-40)44(32-18-10-4-11-19-32)38-25-24-37(47-38)43(31-16-8-3-9-17-31)36-23-22-35(46-36)42(34)30-14-6-2-7-15-30/h2-29,47H,1H3/b42-35-,43-37-,44-38-,45-40-
InChIKey DKHSMOMHVPDDHC-FSERTBTCSA-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 UWMZ2778