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	6BjRFWPNEOP
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)-
CAS Registry Number	39048-13-0
Comments	Less than 3 mono-isotopic peaks
Copyright	Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
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	c12[n]3[Nb]([n]4c(cc5c(c(c(c2)n5)CC)CC)c(c(c4cc2nc(cc3c(CC)c1CC)c(CC)c2CC)CC)CC)(=O)F
SPLASH	splash10-01ox-0000009000-572b98c9fe98722b1b77
Source of Spectrum	KA-1982-248-1
Synonyms	21H,23H-porphine, 2,3,7,8,12,13,17,18-octaethyl-, niobium complex 4,5,9,10,14,15,19,20-octaethyl-22-fluoro-22-oxo-21,23,24,25-tetraaza-22-niobahexacyclo[9.9.3.1(3,6).1(13,16).0(8,23).0(18,21)]pentacosa-1,3(25),4,6,8,10,12,14,16(24),17,19-undecaene Fluoro(2,3,7,8,12,13,17,18-octaethylporphyrinato)oxoniobium
Wiley ID	1413570