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[2-[1-(2,6-Diisopropylphenylimino)ethyl]-6-[1-(4-allyl-2,6-diisopropylphenylimino)ethyl]pyridine]iron dichloride
SpectraBase Compound ID 8aVTqUkxAYC
InChI InChI=1S/C36H47N3.2ClH.Fe/c1-12-15-28-20-31(24(6)7)36(32(21-28)25(8)9)38-27(11)34-19-14-18-33(39-34)26(10)37-35-29(22(2)3)16-13-17-30(35)23(4)5;;;/h12-14,16-25H,1,15H2,2-11H3;2*1H;/q;;;+2/p-2/b37-26+,38-27+;;;
InChIKey KUGGGDCZVOBKQE-DIMJHGQESA-L
Mol Weight 648.5 g/mol
Molecular Formula C36H47Cl2FeN3
Exact Mass 647.24964 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID ISx6VXkewJu
Name [2-[1-(2,6-Diisopropylphenylimino)ethyl]-6-[1-(4-allyl-2,6-diisopropylphenylimino)ethyl]pyridine]iron dichloride
Alternate Name(s) N-(4-allyl-2,6-diisopropylphenyl)-N-((E)-1-{6-[(1E)-N-(2,6-diisopropylphenyl)ethanimidoyl]-2-pyridinyl}ethylidene)amine compound with dichloroiron (1:1)
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C36H47Cl2FeN3
InChI InChI=1S/C36H47N3.2ClH.Fe/c1-12-15-28-20-31(24(6)7)36(32(21-28)25(8)9)38-27(11)34-19-14-18-33(39-34)26(10)37-35-29(22(2)3)16-13-17-30(35)23(4)5;;;/h12-14,16-25H,1,15H2,2-11H3;2*1H;/q;;;+2/p-2/b37-26+,38-27+;;;
InChIKey KUGGGDCZVOBKQE-DIMJHGQESA-L
Molecular Weight 648.544 g/mol
SMILES [Fe](Cl)Cl.c1(\N=C\(c2nc(\C(=N\c3c(C(C)C)cccc3C(C)C)C)ccc2)C)c(cc(cc1C(C)C)CC=C)C(C)C
SPLASH splash10-00di-0000090000-6f588d087ab771bbf84e
Source of Spectrum C3-26-1486-0
Wiley ID 880000