John Wiley & Sons, Inc. SpectraBase; SpectraBase Compound ID=5GNFafBue2h SpectraBase Spectrum ID=1I2sAOvgWkT

(accessed ).
6,21-DIPHENYL-11,16-DI-PARA-TOLYL-24-THIA-3-AZA-META-BENZIPORPHYRIN
SpectraBase Compound ID 5GNFafBue2h
InChI InChI=1S/C47H33N3S/c1-30-13-17-34(18-14-30)46-40-23-21-38(49-40)44(32-9-5-3-6-10-32)36-27-37(29-48-28-36)45(33-11-7-4-8-12-33)39-22-24-41(50-39)47(43-26-25-42(46)51-43)35-19-15-31(2)16-20-35/h3-29H,1-2H3/b44-38-,45-39-,46-42-,47-43-
InChIKey JLYQVTLTXOPRRD-XUPNJMKNSA-N
Mol Weight 671.9 g/mol
Molecular Formula C47H33N3S
Exact Mass 671.23952 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 1I2sAOvgWkT
Name 6,21-DIPHENYL-11,16-DI-PARA-TOLYL-24-THIA-3-AZA-META-BENZIPORPHYRIN
Compound Number 10
Copyright Copyright © 2016-2021 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C47H33N3S
InChI InChI=1S/C47H33N3S/c1-30-13-17-34(18-14-30)46-40-23-21-38(49-40)44(32-9-5-3-6-10-32)36-27-37(29-48-28-36)45(33-11-7-4-8-12-33)39-22-24-41(50-39)47(43-26-25-42(46)51-43)35-19-15-31(2)16-20-35/h3-29H,1-2H3/b44-38-,45-39-,46-42-,47-43-
InChIKey JLYQVTLTXOPRRD-XUPNJMKNSA-N
Literature Reference Author R.MYSLIBORSKI,L.LATOS-GRAZYNSKI
Literature Reference Citation EUR.J.ORG.CHEM.,5039(2005)
Molecular Weight 671.859 g/mol
Sample ID 42484
Solvent CD2Cl2
SpectraBase Batch ID EJq9QJIiI3e