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Vanadium, dichloro[5,10,15,20-tetrakis(3-methylphenyl)-21H,23H-porphinato(2-)-N 21,N22,N23,N24]-, (OC-6-12)-
SpectraBase Compound ID 43g8WxpQ4dp
InChI InChI=1S/C48H36N4.2ClH.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;;;+4/p-2/b45-37-,45-38-,46-39-,46-41-,47-40-,47-42-,48-43-,48-44-;;;
InChIKey IRRBLFUUQJLPCJ-KDTBAHQYSA-L
Mol Weight 790.7 g/mol
Molecular Formula C48H36Cl2N4V
Exact Mass 789.17566 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7HIfTN3TwH6
Name Vanadium, dichloro[5,10,15,20-tetrakis(3-methylphenyl)-21H,23H-porphinato(2-)-N 21,N22,N23,N24]-, (OC-6-12)-
CAS Registry Number 83582-02-9
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C48H36Cl2N4V
InChI InChI=1S/C48H36N4.2ClH.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;;;+4/p-2/b45-37-,45-38-,46-39-,46-41-,47-40-,47-42-,48-43-,48-44-;;;
InChIKey IRRBLFUUQJLPCJ-KDTBAHQYSA-L
Molecular Weight 790.692 g/mol
SMILES c12[n]3[V]([n]4c(c(c5ccc(c2-c2cc(C)ccc2)n5)-c2cc(C)ccc2)ccc4c(c2nc(c(c3cc1)-c1cc(C)ccc1)cc2)-c1cc(C)ccc1)(Cl)Cl
SPLASH splash10-0uxr-0000000900-e026a3e28b64d6e7b86b
Source of Spectrum KA-1982-1453-2
Synonyms 21H,23H-porphine, 5,10,15,20-tetrakis(3-methylphenyl)-, vanadium complex 22,22-dichloro-2,7,12,17-tetrakis(3-methylphenyl)-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 Dichloro(5,10,15,20-tetra-m-tolylporphyrinato)vanadium
Wiley ID 1417014