SpectraBase Compound ID | 8X4T4d6xxUf |
---|---|
InChI | InChI=1S/C33H33N4O5.Ni/c1-17-11-21-12-26-20(4)24(16-38)31(35-26)14-28-19(3)23(8-10-33(40)42-6)30(37-28)15-29-22(7-9-32(39)41-5)18(2)27(36-29)13-25(17)34-21;/h11-16H,7-10H2,1-6H3,(H-3,34,35,36,37,38);/q-3;+6/p-1/b21-12-,25-13-,26-12-,27-13-,28-14-,29-15-,30-15-,31-14-; |
InChIKey | OXMLYYKDDCUDSD-OKSDJKSTSA-M |
Mol Weight | 623.3 g/mol |
Molecular Formula | C33H32N4NiO5 |
Exact Mass | 622.172612 g/mol |
Parent InChIKey | LXHZNTNKHYLHLH-FEGUWANQSA-M |
Title | Journal or Book | Year |
---|---|---|
Identification of modified natural porphyrin isomers:1H and13C NMR assignments by NOESY and reverse heteronuclear shift correlation | Magnetic Resonance in Chemistry | 1994 |
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