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ZINC(II)-2,4-DIACETYL-DEUTEROPORPHYRIN-IX-DIMETHYLESTER
SpectraBase Compound ID FAW6psuV5FR
InChI InChI=1S/C36H38N4O6.Zn/c1-17-23(9-11-33(43)45-7)29-16-30-24(10-12-34(44)46-8)18(2)26(38-30)14-31-36(22(6)42)20(4)28(40-31)15-32-35(21(5)41)19(3)27(39-32)13-25(17)37-29;/h13-16,38-39H,9-12H2,1-8H3;/q;+2/b25-13-,26-14-,27-13-,28-15-,29-16-,30-16-,31-14-,32-15-;
InChIKey OCSIPMWAAAIKBX-AXKRYSEESA-N
Mol Weight 688.1 g/mol
Molecular Formula C36H38N4O6Zn
Exact Mass 686.208277 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID JeHNyJCduYG
Name ZINC(II)-2,4-DIACETYL-DEUTEROPORPHYRIN-IX-DIMETHYLESTER
CAS Registry Number 14057-10-4
Compound Number 1L-ZN(II)
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C36H38N4O6Zn
InChI InChI=1S/C36H38N4O6.Zn/c1-17-23(9-11-33(43)45-7)29-16-30-24(10-12-34(44)46-8)18(2)26(38-30)14-31-36(22(6)42)20(4)28(40-31)15-32-35(21(5)41)19(3)27(39-32)13-25(17)37-29;/h13-16,38-39H,9-12H2,1-8H3;/q;+2/b25-13-,26-14-,27-13-,28-15-,29-16-,30-16-,31-14-,32-15-;
InChIKey OCSIPMWAAAIKBX-AXKRYSEESA-N
Literature Reference Author J.VAZQUEZ,M.M.GONZALEZ,C.MARTI,S.NONELL,F.R.TRULL
Literature Reference Citation MH.CHEM.,129,69(1998)
Literature Reference DOI 10.1007/s007060050030
Molecular Weight 688.101 g/mol
Solvent CDCl3
Source File Reference UWSP10099