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Bis(5-benzoxyindol-3-yl)(ferrocenyl)methane
SpectraBase Compound ID 6YRJ7e98Sv0
InChI InChI=1S/C36H29N2O2.C5H5.Fe/c1-3-9-25(10-4-1)23-39-28-15-17-34-30(19-28)32(21-37-34)36(27-13-7-8-14-27)33-22-38-35-18-16-29(20-31(33)35)40-24-26-11-5-2-6-12-26;1-2-4-5-3-1;/h1-22,36-38H,23-24H2;1-5H;/q2*-1;+2
InChIKey FNWSUZDFEQSEDY-UHFFFAOYSA-N
Mol Weight 642.58 g/mol
Molecular Formula C41H34FeN2O2
Exact Mass 642.196964 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8gvhMokY2VZ
Name Bis(5-benzoxyindol-3-yl)(ferrocenyl)methane
Alternate Name(s) iron(II) 1-(bis(5-(benzyloxy)-1H-indol-3-yl)methyl)cyclopenta-2,4-dien-1-ide cyclopenta-2,4-dien-1-ide
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Formula C41H34FeN2O2
InChI InChI=1S/C36H29N2O2.C5H5.Fe/c1-3-9-25(10-4-1)23-39-28-15-17-34-30(19-28)32(21-37-34)36(27-13-7-8-14-27)33-22-38-35-18-16-29(20-31(33)35)40-24-26-11-5-2-6-12-26;1-2-4-5-3-1;/h1-22,36-38H,23-24H2;1-5H;/q2*-1;+2
InChIKey FNWSUZDFEQSEDY-UHFFFAOYSA-N
Molecular Weight 642.580 g/mol
SMILES [nH]1c2c(c(C(c3c[nH]c4c3cc(cc4)OCc3ccccc3)[c-]3cccc3)c1)cc(cc2)OCc1ccccc1.[Fe+2].[cH-]1cccc1
SPLASH splash10-0006-5477609000-264a0752b45854c69a52
Source of Spectrum AOC-30-442-2e
Wiley ID 1798931