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Iron(II) phthalocyanine
SpectraBase Compound ID JBOdehdjSiT
InChI InChI=1S/C32H16N8.Fe/c1-2-10-18-17(9-1)25-33-26(18)38-28-21-13-5-6-14-22(21)30(35-28)40-32-24-16-8-7-15-23(24)31(36-32)39-29-20-12-4-3-11-19(20)27(34-29)37-25;/h1-16H;/q-2;+2
InChIKey MIINHRNQLVVCEW-UHFFFAOYSA-N
Mol Weight 568.4 g/mol
Molecular Formula C32H16FeN8
Exact Mass 568.084729 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID K5lWNhsFiPV
Name Iron phthalocyanine
Alternate Name(s) Iron(II) phthalocyanine Iron, [29H,31H-phthalocyaninato(2-)-N(29)-,N(30)-,N(31)-,N(32)-]-, (SP-4-1)- Phthalocyaninatoiron
CAS Registry Number 132-16-1
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C32H16FeN8
InChI InChI=1S/C32H16N8.Fe/c1-2-10-18-17(9-1)25-33-26(18)38-28-21-13-5-6-14-22(21)30(35-28)40-32-24-16-8-7-15-23(24)31(36-32)39-29-20-12-4-3-11-19(20)27(34-29)37-25;/h1-16H;/q-2;+2
InChIKey MIINHRNQLVVCEW-UHFFFAOYSA-N
Molecular Weight 568.381 g/mol
SMILES C=12[N]=3[Fe]45N6C(=NC3c3ccccc23)c2ccccc2C6=NC2=[N]4C(c3ccccc23)=Nc2[n]5c(N1)c1ccccc21
SPLASH splash10-066r-4810090000-063fc63225a593556bb9
Source of Spectrum QB-20-702-2
Wiley ID 842217