IRON, [5,10,15,20-TETRAPHENYLPORPHINATO(2)]-

SpectraBase Compound ID	Dwnn4TU6rwh
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-XQMLINRCSA-N Google Search
Mol Weight	670.6 g/mol
Molecular Formula	C44H30FeN4
Exact Mass	670.181983 g/mol

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SpectraBase Spectrum ID	HkgxGhINhNM
Name	IRON, [5,10,15,20-TETRAPHENYLPORPHINATO(2)]-
Copyright	Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. 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-XQMLINRCSA-N
Instrument Name	311A
Molecular Weight	670.1813
SMILES	N1=2C=3C=CC2C(=C2N4[Fe]11N=5C(=C(c6ccc(C3c3ccccc3)[n]16)c1ccccc1)C=CC5C(c1ccccc1)=C4C=C2)c1ccccc1
SPLASH	splash10-014i-1021029000-879b5ac8e06e9a485202
Source of Spectrum	Chemical Concepts, A Wiley Division, Weinheim, Germany