Tricarbonyl[(1-4-.eta.)-5-(2-amino-3-methoxy-5-methylphenyl)-1,3-cyclohexadiene]iron

SpectraBase Compound ID	IpeyYlYpwSO
InChI	InChI=1S/C14H17NO.3CO.Fe/c1-10-8-12(11-6-4-3-5-7-11)14(15)13(9-10)16-2;3*1-2;/h3-6,8-9,11H,7,15H2,1-2H3;;;;
InChIKey	HMVUQIZNJYVZIR-UHFFFAOYSA-N Google Search
Mol Weight	355.17 g/mol
Molecular Formula	C17H17FeNO4
Exact Mass	355.050694 g/mol

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SpectraBase Spectrum ID	5iwVxzS26NN
Name	Tricarbonyl[(1-4-.eta.)-5-(2-amino-3-methoxy-5-methylphenyl)-1,3-cyclohexadiene]iron
Alternate Name(s)	2-Methoxy-4-methyl-6-[1,1,1-tris(hydroxymethyl)-1-ferratetracyclo[3.2.0.0(1,6).0(2,7)]heptan-3-yl]aniline
Copyright	Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula	C17H17FeNO4
InChI	InChI=1S/C14H17NO.3CO.Fe/c1-10-8-12(11-6-4-3-5-7-11)14(15)13(9-10)16-2;3*1-2;/h3-6,8-9,11H,7,15H2,1-2H3;;;;
InChIKey	HMVUQIZNJYVZIR-UHFFFAOYSA-N
Molecular Weight	355.171 g/mol
SMILES	Nc1c(C2[C@@]3([Fe]45([C@@]3([C@]5([C@]4(C2)[H])[H])[H])(C#[O])(C#[O])C#[O])[H])cc(cc1OC)C
SPLASH	splash10-00dr-0910000000-71a6aa199571c10565c3
Source of Spectrum	F-49-11230-5
Wiley ID	789051