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Titanium, oxo[5,10,15,20-tetraphenyl-21H,23H-porphinato(2-)-N21,N22,N23,N24]-, (SP-5-12)-
SpectraBase Compound ID 24L8srpdKMn
InChI InChI=1S/C44H28N4.O.Ti/c1-5-13-29(14-6-1)41-33-21-23-35(45-33)42(30-15-7-2-8-16-30)37-25-27-39(47-37)44(32-19-11-4-12-20-32)40-28-26-38(48-40)43(31-17-9-3-10-18-31)36-24-22-34(41)46-36;;/h1-28H;;/q-2;;+2/b41-33-,41-34-,42-35-,42-37-,43-36-,43-38-,44-39-,44-40-;;
InChIKey XQNVFDSGWKYVTR-YKKPBKTHSA-N
Mol Weight 676.6 g/mol
Molecular Formula C44H28N4OTi
Exact Mass 676.174252 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID EMAWXNTZYnx
Name Titanium, oxo[5,10,15,20-tetraphenyl-21H,23H-porphinato(2-)-N21,N22,N23,N24]-, (SP-5-12)-
CAS Registry Number 58384-89-7
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C44H28N4OTi
InChI InChI=1S/C44H28N4.O.Ti/c1-5-13-29(14-6-1)41-33-21-23-35(45-33)42(30-15-7-2-8-16-30)37-25-27-39(47-37)44(32-19-11-4-12-20-32)40-28-26-38(48-40)43(31-17-9-3-10-18-31)36-24-22-34(41)46-36;;/h1-28H;;/q-2;;+2/b41-33-,41-34-,42-35-,42-37-,43-36-,43-38-,44-39-,44-40-;;
InChIKey XQNVFDSGWKYVTR-YKKPBKTHSA-N
Molecular Weight 676.602 g/mol
SMILES c12[n]3[Ti]([n]4c(c(c5ccc(c2-c2ccccc2)n5)-c2ccccc2)ccc4c(c2nc(c(c3cc1)-c1ccccc1)cc2)-c1ccccc1)=O
SPLASH splash10-004i-0032019000-3e38faf8e2edf35d7a71
Source of Spectrum O-22-45-0
Synonyms 21H,23H-porphine, 5,10,15,20-tetraphenyl-, titanium complex 22-oxo-2,7,12,17-tetraphenyl-21,23,24,25-tetraaza-22-titanahexacyclo[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 Oxotitanium(IV) tetraphenylporphyrin Tetraphenylporphyrinatooxotitanium(IV)
Wiley ID 1414193