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

SpectraBase Compound ID	DBja30ZLgAq
InChI	InChI=1S/C14H17NO2.3CO.Fe/c1-17-13-8-10(9-16)7-12(14(13)15)11-5-3-2-4-6-11;3*1-2;/h2-5,7-8,11,16H,6,9,15H2,1H3;;;;
InChIKey	ZBBPPXIAFVZIPO-UHFFFAOYSA-N Google Search
Mol Weight	371.17 g/mol
Molecular Formula	C17H17FeNO5
Exact Mass	371.045609 g/mol

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SpectraBase Spectrum ID	7HPBu5JjW1x
Name	Tricarbonyl[(1-4-.eta.)-5-(2-amino-4-hydroxymethyl-3-methoxyphenyl)-1,3-cyclohexadiene]iron
Copyright	Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula	C17H17FeNO5
InChI	InChI=1S/C14H17NO2.3CO.Fe/c1-17-13-8-10(9-16)7-12(14(13)15)11-5-3-2-4-6-11;3*1-2;/h2-5,7-8,11,16H,6,9,15H2,1H3;;;;
InChIKey	ZBBPPXIAFVZIPO-UHFFFAOYSA-N
Molecular Weight	371.170 g/mol
SMILES	OCc1cc(c(c(c1)OC)N)C1[C@@]2([Fe]34([C@@]2([C@]4([C@]3(C1)[H])[H])[H])(C#[O])(C#[O])C#[O])[H]
SPLASH	splash10-014i-0591000000-8185a88b2b52b3e40639
Source of Spectrum	F-49-11231-8
Synonyms	{4-amino-3-methoxy-5-[1,1,1-tris(hydroxymethyl)-1-ferratetracyclo[3.2.0.0(1,6).0(2,7)]heptan-3-yl]phenyl}methanol
Wiley ID	789046