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TETRAKIS-5,10,15,20-(2',6'-DIAMINO-4'-TERT.-BUTYLPHENYL)-PORPHYRIN;H2TDAPP
SpectraBase Compound ID zmz5mgG1rs
InChI InChI=1S/C60H70N12/c1-57(2,3)29-21-33(61)49(34(62)22-29)53-41-13-15-43(69-41)54(50-35(63)23-30(24-36(50)64)58(4,5)6)45-17-19-47(71-45)56(52-39(67)27-32(28-40(52)68)60(10,11)12)48-20-18-46(72-48)55(44-16-14-42(53)70-44)51-37(65)25-31(26-38(51)66)59(7,8)9/h13-28,69,72H,61-68H2,1-12H3/b53-41+,53-42+,54-43+,54-45+,55-44+,55-46+,56-47+,56-48+
InChIKey YODBDYYPVNJCIK-RNWYWIMESA-N
Mol Weight 959.3 g/mol
Molecular Formula C60H70N12
Exact Mass 958.58464 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID ChjFO2KVKsO
Name TETRAKIS-5,10,15,20-(2',6'-DIAMINO-4'-TERT.-BUTYLPHENYL)-PORPHYRIN;H2TDAPP
Compound Number 8
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C60H70N12
InChI InChI=1S/C60H70N12/c1-57(2,3)29-21-33(61)49(34(62)22-29)53-41-13-15-43(69-41)54(50-35(63)23-30(24-36(50)64)58(4,5)6)45-17-19-47(71-45)56(52-39(67)27-32(28-40(52)68)60(10,11)12)48-20-18-46(72-48)55(44-16-14-42(53)70-44)51-37(65)25-31(26-38(51)66)59(7,8)9/h13-28,69,72H,61-68H2,1-12H3/b53-41+,53-42+,54-43+,54-45+,55-44+,55-46+,56-47+,56-48+
InChIKey YODBDYYPVNJCIK-RNWYWIMESA-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 959.296 g/mol
Sample ID 38336
Solvent CDCl3