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(+)-(1R)-[1-Methyl-8H-2,2,3,3,7,7,8,8,12,12,13,13,17,17,18,18-hexadecamethyl-10,20-diaza-decahydroporphinato(2-)]nickel-perchlorate
SpectraBase Compound ID KcgyWfA8Jxz
InChI InChI=1S/C35H53N6.ClHO4.Ni/c1-27(2)20-18-21-29(5,6)33(13,14)26(38-21)41-35(17)34(15,16)30(7,8)23(40-35)19-22-28(3,4)32(11,12)25(37-22)39-24(36-20)31(27,9)10;2-1(3,4)5;/h18-19H,1-17H3;(H,2,3,4,5);/q-1;;+2/p-1/b21-18-,22-19-,39-24-;;/t35-;;/m1../s1
InChIKey FWNHTHRQXUYDIR-AIKVMSDVSA-M
Mol Weight 715.99 g/mol
Molecular Formula C35H53ClN6NiO4
Exact Mass 714.317024 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID G4Wc97sj2Oh
Name (+)-(1R)-[1-Methyl-8H-2,2,3,3,7,7,8,8,12,12,13,13,17,17,18,18-hexadecamethyl-10,20-diaza-decahydroporphinato(2-)]nickel-perchlorate
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Formula C35H53ClN6NiO4
InChI InChI=1S/C35H53N6.ClHO4.Ni/c1-27(2)20-18-21-29(5,6)33(13,14)26(38-21)41-35(17)34(15,16)30(7,8)23(40-35)19-22-28(3,4)32(11,12)25(37-22)39-24(36-20)31(27,9)10;2-1(3,4)5;/h18-19H,1-17H3;(H,2,3,4,5);/q-1;;+2/p-1/b21-18-,22-19-,39-24-;;/t35-;;/m1../s1
InChIKey FWNHTHRQXUYDIR-AIKVMSDVSA-M
Molecular Weight 715.993 g/mol
SMILES c12nc3nc(cc4[n-]c(n[c@]5(nc(cc(n2)C(C1(C)C)(C)C)C(C5(C)C)(C)C)C)C(C4(C)C)(C)C)C(C3(C)C)(C)C.[Ni+2].[Cl](=O)(=O)(=O)[O-]
SPLASH splash10-014i-0000029000-ac5acce8c932f4d873a8
Source of Spectrum H-64-1120-2a
Wiley ID 1797553