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Vanadium, dibromo[5,10,15,20-tetrakis(3-methylphenyl)-21H,23H-porphinato(2-)-N21,N22,N23,N24]-, (OC-6-12)-
SpectraBase Compound ID jNs82IpUHW
InChI InChI=1S/C48H36N4.2BrH.V/c1-29-9-5-13-33(25-29)45-37-17-19-39(49-37)46(34-14-6-10-30(2)26-34)41-21-23-43(51-41)48(36-16-8-12-32(4)28-36)44-24-22-42(52-44)47(40-20-18-38(45)50-40)35-15-7-11-31(3)27-35;;;/h5-28H,1-4H3;2*1H;/q-2;;;+6/p-2/b45-37-,45-38-,46-39-,46-41-,47-40-,47-42-,48-43-,48-44-;;;
InChIKey ZBHNEIQGUXMTCG-KDTBAHQYSA-L
Mol Weight 879.6 g/mol
Molecular Formula C48H36Br2N4V
Exact Mass 877.07463 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Kn5JJOnCKrl
Name Vanadium, dibromo[5,10,15,20-tetrakis(3-methylphenyl)-21H,23H-porphinato(2-)-N21,N22,N23,N24]-, (OC-6-12)-
CAS Registry Number 83582-03-0
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C48H36Br2N4V
InChI InChI=1S/C48H36N4.2BrH.V/c1-29-9-5-13-33(25-29)45-37-17-19-39(49-37)46(34-14-6-10-30(2)26-34)41-21-23-43(51-41)48(36-16-8-12-32(4)28-36)44-24-22-42(52-44)47(40-20-18-38(45)50-40)35-15-7-11-31(3)27-35;;;/h5-28H,1-4H3;2*1H;/q-2;;;+6/p-2/b45-37-,45-38-,46-39-,46-41-,47-40-,47-42-,48-43-,48-44-;;;
InChIKey ZBHNEIQGUXMTCG-KDTBAHQYSA-L
Molecular Weight 879.594 g/mol
SMILES C1=2[N+]=3[V+2]45([N-]6C(=C(C3C=C1)c1cc(C)ccc1)C=CC6=C(c1cc(C)ccc1)C1=[N+]4C(C=C1)=C(C=1[N-]5C(C2c2cc(C)ccc2)=CC1)c1cc(C)ccc1)(Br)Br
SPLASH splash10-014i-0000000910-1bfaa9ba37714339c979
Source of Spectrum KA-1982-1453-2
Synonyms 1,1-dibromo-7,12,17,24-tetrakis(3-methylphenyl)-2-aza-22-aza-23-aza-25-aza-1-vanadaoctacyclo[11.9.1.1(1,8).1(3,21).0(2,6).0(16,23).0(18,22).0(11,25)]pentacosa-2,4,6,8,10,12,14,16(23),17,19,21(24)-undecaene-1,1,2,23-tetrakis(ylium)-22,25-diide 21H,23H-porphine, 5,10,15,20-tetrakis(3-methylphenyl)-, vanadium complex Dibromo(5,10,15,20-tetra-m-tolylporphyrinato)vanadium
Wiley ID 1417882