Ferrocene, (3-hydroxypropyl)- or ferrocene, 1-(1-hydroxyethyl)-3-methyl-

SpectraBase Compound ID	751yPr00bWD
InChI	InChI=1S/2C8H11O.2C5H5.2Fe/c1-6-3-4-8(5-6)7(2)9;9-7-3-6-8-4-1-2-5-8;21-2-4-5-3-1;;/h3-5,7,9H,1-2H3;1-2,4-5,9H,3,6-7H2;21-5H;;
InChIKey	WMKQYXIEWOZZDP-UHFFFAOYSA-N Google Search
Mol Weight	488.23 g/mol
Molecular Formula	C26H32Fe2O2
Exact Mass	488.110102 g/mol

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SpectraBase Spectrum ID	30SYcBiRXoq
Name	Ferrocene, (3-hydroxypropyl)- or ferrocene, 1-(1-hydroxyethyl)-3-methyl-
Comments	Note: The molecular formula of the structure shown is C26H32Fe2O2 - which differs from the formula reported for the mass spectrum (C13H16FeO)
Copyright	Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula	C13H16FeO
InChI	InChI=1S/2C8H11O.2C5H5.2Fe/c1-6-3-4-8(5-6)7(2)9;9-7-3-6-8-4-1-2-5-8;21-2-4-5-3-1;;/h3-5,7,9H,1-2H3;1-2,4-5,9H,3,6-7H2;21-5H;;
InChIKey	WMKQYXIEWOZZDP-UHFFFAOYSA-N
Molecular Weight	488.230 g/mol
SMILES	OC(C=1C([Fe]C2C=CC=C2)C=C(C1)C)C.OCCCC=1C(C=CC1)[Fe]C1C=CC=C1
SPLASH	splash10-00dl-3930000000-ebf7d6e75fb2d7265877
Synonyms	2,4-cyclopentadien-1-yl[2-(3-hydroxypropyl)-2,4-cyclopentadien-1-yl]iron compound with 2,4-cyclopentadien-1-yl[2-(1-hydroxyethyl)-4-methyl-2,4-cyclopentadien-1-yl]iron (1:1)
Wiley ID	1474184