Vanadium, dibromo[2,3,7,8,12,13,17,18-octaethyl-21H,23H-porphinato(2-)-N21,N22, N23,N24]-, (OC-6-12)-

SpectraBase Compound ID	JCuomGNGrRT
InChI	InChI=1S/C36H44N4.2BrH.V/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;2*1H;/q-2;;;+4/p-2/b29-17-,30-18-,31-17-,32-18-,33-19-,34-20-,35-19-,36-20-;;;
InChIKey	VZTWPABOHDJEFM-SBYLDBAISA-L Google Search
Mol Weight	743.5 g/mol
Molecular Formula	C36H44Br2N4V
Exact Mass	741.13723 g/mol

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SpectraBase Spectrum ID	4Pf9XZLvJ7e
Name	Vanadium, dibromo[2,3,7,8,12,13,17,18-octaethyl-21H,23H-porphinato(2-)-N21,N22, N23,N24]-, (OC-6-12)-
Alternate Name(s)	21H,23H-Porphine, 2,3,7,8,12,13,17,18-octaethyl-, vanadium complex 22,22-dibromo-4,5,9,10,14,15,19,20-octaethyl-21,23,24,25-tetraaza-22-vanadahexacyclo[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 Dibromo(2,3,7,8,12,13,17,18-octaethylporphyrinato)vanadium
CAS Registry Number	83581-99-1
Comments	Less than 3 mono-isotopic peaks
Copyright	Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula	C36H44Br2N4V
InChI	InChI=1S/C36H44N4.2BrH.V/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;2*1H;/q-2;;;+4/p-2/b29-17-,30-18-,31-17-,32-18-,33-19-,34-20-,35-19-,36-20-;;;
InChIKey	VZTWPABOHDJEFM-SBYLDBAISA-L
Molecular Weight	743.526 g/mol
SMILES	c12[n]3[V]([n]4c(cc5c(c(c(c2)n5)CC)CC)c(c(c4cc2nc(cc3c(CC)c1CC)c(CC)c2CC)CC)CC)(Br)Br
SPLASH	splash10-03e9-0000079000-ce16aad45270cc73fc92
Source of Spectrum	KA-1982-1453-2
Wiley ID	1416124