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MESO-TRIS-5,10,15-(2',6'-DINITRO-4'-TERT.-BUTYLPHENYL)-MONO-20-(4-TERT.-BUTYLPHENYL)-PORPHYRIN
SpectraBase Compound ID 2wo9dgLY7CR
InChI InChI=1S/C60H56N10O12/c1-57(2,3)32-15-13-31(14-16-32)50-36-17-19-38(61-36)51(54-44(65(71)72)25-33(58(4,5)6)26-45(54)66(73)74)40-21-23-42(63-40)53(56-48(69(79)80)29-35(60(10,11)12)30-49(56)70(81)82)43-24-22-41(64-43)52(39-20-18-37(50)62-39)55-46(67(75)76)27-34(59(7,8)9)28-47(55)68(77)78/h13-30,61,64H,1-12H3/b50-36-,50-37-,51-38+,51-40+,52-39+,52-41+,53-42+,53-43+
InChIKey ULIHSTOVUWEWFC-VMRYZQPESA-N
Mol Weight 1109.2 g/mol
Molecular Formula C60H56N10O12
Exact Mass 1108.407917 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 3lDnd92H9fP
Name MESO-TRIS-5,10,15-(2',6'-DINITRO-4'-TERT.-BUTYLPHENYL)-MONO-20-(4-TERT.-BUTYLPHENYL)-PORPHYRIN
Compound Number 5 A
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C60H56N10O12
InChI InChI=1S/C60H56N10O12/c1-57(2,3)32-15-13-31(14-16-32)50-36-17-19-38(61-36)51(54-44(65(71)72)25-33(58(4,5)6)26-45(54)66(73)74)40-21-23-42(63-40)53(56-48(69(79)80)29-35(60(10,11)12)30-49(56)70(81)82)43-24-22-41(64-43)52(39-20-18-37(50)62-39)55-46(67(75)76)27-34(59(7,8)9)28-47(55)68(77)78/h13-30,61,64H,1-12H3/b50-36-,50-37-,51-38+,51-40+,52-39+,52-41+,53-42+,53-43+
InChIKey ULIHSTOVUWEWFC-VMRYZQPESA-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 1109.164 g/mol
Sample ID 28063
Solvent CDCl3