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[(1-4.eta.-5-{2-Amino-4-(2,2-diethoxyethoxy)-5-methylphenyl}cyclohexa-1,3-diene]tricarbonyliron
SpectraBase Compound ID 5pDnE99gL4D
InChI InChI=1S/C19H27NO3.3CO.Fe/c1-4-21-19(22-5-2)13-23-18-12-17(20)16(11-14(18)3)15-9-7-6-8-10-15;3*1-2;/h6-9,11-12,15,19H,4-5,10,13,20H2,1-3H3;;;;
InChIKey ALDVUABMTLCRFM-UHFFFAOYSA-N
Mol Weight 457.3 g/mol
Molecular Formula C22H27FeNO6
Exact Mass 457.118774 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7NDJYcRfl2N
Name [(1-4.eta.-5-{2-Amino-4-(2,2-diethoxyethoxy)-5-methylphenyl}cyclohexa-1,3-diene]tricarbonyliron
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H27FeNO6
InChI InChI=1S/C19H27NO3.3CO.Fe/c1-4-21-19(22-5-2)13-23-18-12-17(20)16(11-14(18)3)15-9-7-6-8-10-15;3*1-2;/h6-9,11-12,15,19H,4-5,10,13,20H2,1-3H3;;;;
InChIKey ALDVUABMTLCRFM-UHFFFAOYSA-N
Molecular Weight 457.304 g/mol
SMILES Nc1c(C2C3[Fe]45(C3C5C4C2)(C#[O])(C#[O])C#[O])cc(c(OCC(OCC)OCC)c1)C
SPLASH splash10-0kmi-0159200000-e4b81596a0deef70f045
Source of Spectrum SO-0-2135-10
Wiley ID 878372