Niobium, fluoro[2,3,7,8,12,13,17,18-octaethyl-21H,23H-porphinato(2-)-N21,N22,N 23,N24]oxo-, (oc-6-23)-

SpectraBase Compound ID	DPXnDy8gUnJ
InChI	InChI=1S/C36H44N4.FH.Nb.O/c1-9-21-22(10-2)30-18-32-25(13-5)26(14-6)34(39-32)20-36-28(16-8)27(15-7)35(40-36)19-33-24(12-4)23(11-3)31(38-33)17-29(21)37-30;;;/h17-20H,9-16H2,1-8H3;1H;;/q-2;;+3;/p-1/b29-17-,30-18-,31-17-,32-18-,33-19-,34-20-,35-19-,36-20-;;;
InChIKey	FWRBFNJGRCRDDH-SBYLDBAISA-M Google Search
Mol Weight	660.7 g/mol
Molecular Formula	C36H44FN4NbO
Exact Mass	660.256285 g/mol

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SpectraBase Spectrum ID	3Ju3D5yCBvU
Name	Niobium, fluoro[2,3,7,8,12,13,17,18-octaethyl-21H,23H-porphinato(2-)-N21,N22,N 23,N24]oxo-, (oc-6-23)-
Comments	Computed using HOSE algorithm
Copyright	Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass	660.256285215 u
Formula	C36H44FN4NbO
InChI	InChI=1S/C36H44N4.FH.Nb.O/c1-9-21-22(10-2)30-18-32-25(13-5)26(14-6)34(39-32)20-36-28(16-8)27(15-7)35(40-36)19-33-24(12-4)23(11-3)31(38-33)17-29(21)37-30;;;/h17-20H,9-16H2,1-8H3;1H;;/q-2;;+3;/p-1/b29-17-,30-18-,31-17-,32-18-,33-19-,34-20-,35-19-,36-20-;;;
InChIKey	FWRBFNJGRCRDDH-SBYLDBAISA-M
Molecular Weight	660.680 g/mol
SMILES	C=12N3[Nb](N4C(=CC=5C(=C(C(=C2)N5)CC)CC)C(=C(C4=CC2=NC(=CC3=C(CC)C1CC)C(CC)=C2CC)CC)CC)(=O)F