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Iron, (methanesulfonato-O)[5,10,15,20-tetraphenyl-21H,23H-porphinato(2-)-N21,N22,N23,N24]-, (SP-5-12)-
SpectraBase Compound ID 7BDDRYlhlAK
InChI InChI=1S/C44H28N4.CH4O3S.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;1-5(2,3)4;/h1-28H;1H3,(H,2,3,4);/q-2;;+3/p-1/b41-33-,41-34-,42-35-,42-37-,43-36-,43-38-,44-39-,44-40-;;
InChIKey JSCXTICWLOPRTJ-YKKPBKTHSA-M
Mol Weight 763.7 g/mol
Molecular Formula C45H31FeN4O3S
Exact Mass 763.146623 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JixjXYADlYy
Name Iron, (methanesulfonato-O)[5,10,15,20-tetraphenyl-21H,23H-porphinato(2-)-N21,N22,N23,N24]-, (SP-5-12)-
CAS Registry Number 82008-26-2
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C45H31FeN4O3S
InChI InChI=1S/C44H28N4.CH4O3S.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;1-5(2,3)4;/h1-28H;1H3,(H,2,3,4);/q-2;;+3/p-1/b41-33-,41-34-,42-35-,42-37-,43-36-,43-38-,44-39-,44-40-;;
InChIKey JSCXTICWLOPRTJ-YKKPBKTHSA-M
Molecular Weight 763.673 g/mol
SMILES C1=2[N]=3[Fe]45(N6C(=C(C3C=C1)c1ccccc1)C=CC6=C(c1ccccc1)C1=[N]4C(C=C1)=C(c1[n]5c(C2c2ccccc2)cc1)c1ccccc1)OS(=O)(=O)C
SPLASH splash10-0gb9-0000009500-66c28ba44f2a11dbb6e7
Source of Spectrum KA-1984-571-4
Synonyms 21H,23H-porphine, 5,10,15,20-tetraphenyl-, iron complex 7,12,17,24-tetraphenyl-2,22,23,25-tetraaza-1-ferraoctacyclo[11.9.1.1(1,8).1(3,21).0(2,6).0(16,23).0(18,22).0(11,25)]pentacosa-2,4,6,8,10,12,14,16(23),17,19,21(24)-undecaen-1-yl methanesulfonate Methanesulfonic acid, iron complex Methylsulfonato(5,10,15,20-tetraphenylporphyrinato)iron
Wiley ID 1416572