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[5,10,15,20-Tetrakis-(trifluoromethyl)-porphinato]-zinc-(ii)
SpectraBase Compound ID 291VmYmtQzx
InChI InChI=1S/C24H8F12N4.Zn/c25-21(26,27)17-9-1-2-10(37-9)18(22(28,29)30)12-5-6-14(39-12)20(24(34,35)36)16-8-7-15(40-16)19(23(31,32)33)13-4-3-11(17)38-13;/h1-8H;/q-2;+2/b17-9+,17-11+,18-10+,18-12+,19-13+,19-15+,20-14+,20-16+;
InChIKey HVSFTYLFHSNRAZ-HQJDZOCDSA-N
Mol Weight 645.72 g/mol
Molecular Formula C24H8F12N4Zn
Exact Mass 643.984876 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 7Iu41SxjTF8
Name [5,10,15,20-Tetrakis-(trifluoromethyl)-porphinato]-zinc-(ii)
Comments Computed using HOSE algorithm
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Exact Mass 643.984876230 u
Formula C24H8F12N4Zn
InChI InChI=1S/C24H8F12N4.Zn/c25-21(26,27)17-9-1-2-10(37-9)18(22(28,29)30)12-5-6-14(39-12)20(24(34,35)36)16-8-7-15(40-16)19(23(31,32)33)13-4-3-11(17)38-13;/h1-8H;/q-2;+2/b17-9+,17-11+,18-10+,18-12+,19-13+,19-15+,20-14+,20-16+;
InChIKey HVSFTYLFHSNRAZ-HQJDZOCDSA-N
Molecular Weight 645.719 g/mol
SMILES C(F)(C1=C2C=CC3=N2[Zn]24N5C1=CC=C5C(=C1C=CC(=N21)C(C(F)(F)F)=C1C=CC(=C3C(F)(F)F)N41)C(F)(F)F)(F)F