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Iron, [5,10,15,20-tetraphenyl-21H,23H-porphinato(2-)-N21,N22,N23,N24]-, (SP-4-1)-
SpectraBase Compound ID 9KWcYHPC1Xm
InChI InChI=1S/C44H28N4.Fe/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 ZWYCMWUUWAFXIA-DAJBKUBHSA-N
Mol Weight 668.6 g/mol
Molecular Formula C44H28FeN4
Exact Mass 668.166333 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 847M6s1z7Bl
Name Iron, [5,10,15,20-tetraphenyl-21H,23H-porphinato(2-)-N21,N22,N23,N24]-, (SP-4-1)-
CAS Registry Number 16591-56-3
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C44H28FeN4
InChI InChI=1S/C44H28N4.Fe/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 ZWYCMWUUWAFXIA-DAJBKUBHSA-N
Molecular Weight 668.581 g/mol
SMILES c12[n-]c(cc2)c(-c2ccccc2)c2ccc(n2)c(c2[n-]c(cc2)c(-c2ccccc2)c2nc(cc2)c1-c1ccccc1)-c1ccccc1.[Fe+2]
SPLASH splash10-014i-0010019000-9cba4eeeae3b65d42ad9
Source of Spectrum O-9-78-2
Synonyms Iron (II) tetraphenylprophyrin Iron tetraphenylporphine Iron tetraphenylporphyrin Iron, [5,10,15,20-tetraphenylporphinato(2-)]- Tetraphenylporphineiron(II) [.alpha.,.beta.,.gamma.,.delta.-Tetraphenylporphyrinato(2-)]iron [5,10,15,20-Tetraphenylporphinato(2-)]iron
Wiley ID 1413875