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6,21-DIMESITYL-11,16-DI-PARA-TOLYL-24-THIA-3-AZA-META-BENZIPORPHYRIN

View entire compound with spectra: 1 NMR

6,21-DIMESITYL-11,16-DI-PARA-TOLYL-24-THIA-3-AZA-META-BENZIPORPHYRIN
SpectraBase Compound ID ApflfZuzUhu
InChI InChI=1S/C53H45N3S/c1-30-9-13-38(14-10-30)50-42-17-19-44(55-42)52(48-34(5)23-32(3)24-35(48)6)40-27-41(29-54-28-40)53(49-36(7)25-33(4)26-37(49)8)45-20-18-43(56-45)51(47-22-21-46(50)57-47)39-15-11-31(2)12-16-39/h9-29H,1-8H3/b50-46-,51-47-,52-44+,53-45+
InChIKey LJPUZKDKXYNLBS-QJESZBQPSA-N
Mol Weight 756.0 g/mol
Molecular Formula C53H45N3S
Exact Mass 755.33342 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Cxmb9kqpM8e
Name 6,21-DIMESITYL-11,16-DI-PARA-TOLYL-24-THIA-3-AZA-META-BENZIPORPHYRIN
Compound Number 10-M
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C53H45N3S
InChI InChI=1S/C53H45N3S/c1-30-9-13-38(14-10-30)50-42-17-19-44(55-42)52(48-34(5)23-32(3)24-35(48)6)40-27-41(29-54-28-40)53(49-36(7)25-33(4)26-37(49)8)45-20-18-43(56-45)51(47-22-21-46(50)57-47)39-15-11-31(2)12-16-39/h9-29H,1-8H3/b50-46-,51-47-,52-44+,53-45+
InChIKey LJPUZKDKXYNLBS-QJESZBQPSA-N
Literature Reference Author R.MYSLIBORSKI,L.LATOS-GRAZYNSKI
Literature Reference Citation EUR.J.ORG.CHEM.,5039(2005)
Molecular Weight 756.020 g/mol
Sample ID 42485
Solvent CDCl3