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MESO-TRIS-5,10,15-(2',6'-DIAMINO-4'-TERT.-BUTYLPHENYL)-MONO-20-(4-TERT.-BUTYLPHENYL)-PORPHYRIN
SpectraBase Compound ID 8pvKF9qwTX5
InChI InChI=1S/C60H68N10/c1-57(2,3)32-15-13-31(14-16-32)50-42-17-19-44(67-42)54(51-36(61)25-33(26-37(51)62)58(4,5)6)46-21-23-48(69-46)56(53-40(65)29-35(30-41(53)66)60(10,11)12)49-24-22-47(70-49)55(45-20-18-43(50)68-45)52-38(63)27-34(28-39(52)64)59(7,8)9/h13-30,67,70H,61-66H2,1-12H3/b50-42-,50-43-,54-44+,54-46+,55-45+,55-47+,56-48+,56-49+
InChIKey XEPFGXJHJSGHQQ-HBNIDTIFSA-N
Mol Weight 929.3 g/mol
Molecular Formula C60H68N10
Exact Mass 928.562842 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID GQh2wNFEqx0
Name MESO-TRIS-5,10,15-(2',6'-DIAMINO-4'-TERT.-BUTYLPHENYL)-MONO-20-(4-TERT.-BUTYLPHENYL)-PORPHYRIN
Compound Number 5 C
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C60H68N10
InChI InChI=1S/C60H68N10/c1-57(2,3)32-15-13-31(14-16-32)50-42-17-19-44(67-42)54(51-36(61)25-33(26-37(51)62)58(4,5)6)46-21-23-48(69-46)56(53-40(65)29-35(30-41(53)66)60(10,11)12)49-24-22-47(70-49)55(45-20-18-43(50)68-45)52-38(63)27-34(28-39(52)64)59(7,8)9/h13-30,67,70H,61-66H2,1-12H3/b50-42-,50-43-,54-44+,54-46+,55-45+,55-47+,56-48+,56-49+
InChIKey XEPFGXJHJSGHQQ-HBNIDTIFSA-N
Literature Reference Author E.ROSE,M.SOLEILHAVOUP,L.CHRIST-TOMMASINO,G.MOREAU,J.P.COLLMA N,M.QUELQUEJEU,A.STR
Literature Reference Citation J.ORG.CHEM.,63,2042(1998)
Literature Reference DOI 10.1021/jo9718713
Molecular Weight 929.267 g/mol
Sample ID 28064
Solvent CDCl3