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21H,23H-Porphine, 5,10,15,20-tetraphenyl-, nickel complex
SpectraBase Compound ID JqE9zhePTdK
InChI InChI=1S/C44H28N4.Ni/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;/b41-33-,41-34-,42-35-,42-37-,43-36-,43-38-,44-39-,44-40-;
InChIKey QJFZOVVQYZDMOR-DAJBKUBHSA-N
Mol Weight 673.4454 g/mol
Molecular Formula C44H30N4Ni
Exact Mass 672.182389 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6UtTkHhAsMt
Name 21H,23H-Porphine, 5,10,15,20-tetraphenyl-, nickel complex
CAS Registry Number 14172-92-0
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C44H28N4Ni
InChI InChI=1S/C44H28N4.Ni/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;/b41-33-,41-34-,42-35-,42-37-,43-36-,43-38-,44-39-,44-40-;
InChIKey QJFZOVVQYZDMOR-DAJBKUBHSA-N
Molecular Weight 673.445 g/mol
SMILES [nH]1c2c(c3ccc(c(c4ccc(c(c5nc(c(c1cc2)-c1ccccc1)cc5)-c1ccccc1)[nH]4)-c1ccccc1)n3)-c1ccccc1.[Ni]
SPLASH splash10-00di-0020019000-f5552daf65c50b63d309
Source of Spectrum KO-3-74-3
Synonyms Nickel, [5,10,15,20-tetraphenyl-21H,23H-porphinato(2-)-N21,N22,N23,N24]-, (SP-4-1)- Nickel meso-tetraphenylporphine Nickel tetraphenylporphine Nickel tetraphenylporphyrin Nickel(II) 5,10,15,20-tetraphenylporphine Nickel(II) meso-tetraphenylporphine Nickel(II) tetraphenylphorphyrin Nickel, [5,10,15,20-tetraphenylporphinato(2-)]- Tetraphenylporphine nickel complex [5,10,15,20-Tetraphenylporphinato(2-)]nickel [meso-Tetraphenylporphinato(2-)]nickel
Wiley ID 1413925