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TETRAKIS-5,10,15,20-(3',5'-DINITRO-4'-METHYLPHENYL)-PORPHYRIN;H2TNMPP
SpectraBase Compound ID CsxnGzitHaQ
InChI InChI=1S/C48H30N12O16/c1-21-37(53(61)62)13-25(14-38(21)54(63)64)45-29-5-7-31(49-29)46(26-15-39(55(65)66)22(2)40(16-26)56(67)68)33-9-11-35(51-33)48(28-19-43(59(73)74)24(4)44(20-28)60(75)76)36-12-10-34(52-36)47(32-8-6-30(45)50-32)27-17-41(57(69)70)23(3)42(18-27)58(71)72/h5-20,49,52H,1-4H3/b45-29-,45-30-,46-31-,46-33-,47-32-,47-34-,48-35-,48-36-
InChIKey SBXAVLIRAMWEQJ-XPLYENQYSA-N
Mol Weight 1030.8 g/mol
Molecular Formula C48H30N12O16
Exact Mass 1030.190273 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID IymCnNIMlwu
Name TETRAKIS-5,10,15,20-(3',5'-DINITRO-4'-METHYLPHENYL)-PORPHYRIN;H2TNMPP
Compound Number 7A
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C48H30N12O16
InChI InChI=1S/C48H30N12O16/c1-21-37(53(61)62)13-25(14-38(21)54(63)64)45-29-5-7-31(49-29)46(26-15-39(55(65)66)22(2)40(16-26)56(67)68)33-9-11-35(51-33)48(28-19-43(59(73)74)24(4)44(20-28)60(75)76)36-12-10-34(52-36)47(32-8-6-30(45)50-32)27-17-41(57(69)70)23(3)42(18-27)58(71)72/h5-20,49,52H,1-4H3/b45-29-,45-30-,46-31-,46-33-,47-32-,47-34-,48-35-,48-36-
InChIKey SBXAVLIRAMWEQJ-XPLYENQYSA-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 1030.837 g/mol
Sample ID 38337
Solvent CD2Cl2:CDCl3:CCl4