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TETRAKIS-5,10,15,20-(2',6'-DINITRO-4'-ISOPROPYLOXYCARBONYLPHENYL)-PORPHYRIN;H2TDNIOCPP
SpectraBase Compound ID HHqCbXkY2Q8
InChI InChI=1S/C60H46N12O24/c1-25(2)93-57(73)29-17-41(65(77)78)53(42(18-29)66(79)80)49-33-9-11-35(61-33)50(54-43(67(81)82)19-30(20-44(54)68(83)84)58(74)94-26(3)4)37-13-15-39(63-37)52(56-47(71(89)90)23-32(24-48(56)72(91)92)60(76)96-28(7)8)40-16-14-38(64-40)51(36-12-10-34(49)62-36)55-45(69(85)86)21-31(22-46(55)70(87)88)59(75)95-27(5)6/h9-28,61,64H,1-8H3/b49-33+,49-34+,50-35+,50-37+,51-36+,51-38+,52-39+,52-40+
InChIKey MSZUGPWOFIGGFS-KJLUJLEZSA-N
Mol Weight 1319.1 g/mol
Molecular Formula C60H46N12O24
Exact Mass 1318.27479 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 7L4dUYkUQde
Name TETRAKIS-5,10,15,20-(2',6'-DINITRO-4'-ISOPROPYLOXYCARBONYLPHENYL)-PORPHYRIN;H2TDNIOCPP
Compound Number 7B
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C60H46N12O24
InChI InChI=1S/C60H46N12O24/c1-25(2)93-57(73)29-17-41(65(77)78)53(42(18-29)66(79)80)49-33-9-11-35(61-33)50(54-43(67(81)82)19-30(20-44(54)68(83)84)58(74)94-26(3)4)37-13-15-39(63-37)52(56-47(71(89)90)23-32(24-48(56)72(91)92)60(76)96-28(7)8)40-16-14-38(64-40)51(36-12-10-34(49)62-36)55-45(69(85)86)21-31(22-46(55)70(87)88)59(75)95-27(5)6/h9-28,61,64H,1-8H3/b49-33+,49-34+,50-35+,50-37+,51-36+,51-38+,52-39+,52-40+
InChIKey MSZUGPWOFIGGFS-KJLUJLEZSA-N
Literature Reference Author E.ROSE,A.KOSSANYI,M.QUELQUEJEU,M.SOLEILHAVOUP,F.DUWAVRAN,N.B ERNARD,A.LECAS
Literature Reference Citation J.AM.CHEM.SOC.,118,1567(1996)
Literature Reference DOI 10.1021/ja952580j
Molecular Weight 1319.091 g/mol
Sample ID 38338
Solvent CDCl3:CF3CO2D