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Ferrocene, 1-(2-carboxyphenyl)-
SpectraBase Compound ID WYt44kp1n6
InChI InChI=1S/C12H9O2.C5H5.Fe/c13-12(14)11-8-4-3-7-10(11)9-5-1-2-6-9;1-2-4-5-3-1;/h1-8H,(H,13,14);1-5H;/q2*-5;
InChIKey PHZRPGNBDNLYLB-UHFFFAOYSA-N
Mol Weight 306.14 g/mol
Molecular Formula C17H14FeO2
Exact Mass 306.034316 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID AUv1NHqWhxE
Name Ferrocene, 1-(2-carboxyphenyl)-
CAS Registry Number 32876-85-0
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H14FeO2
InChI InChI=1S/C12H9O2.C5H5.Fe/c13-12(14)11-8-4-3-7-10(11)9-5-1-2-6-9;1-2-4-5-3-1;/h1-8H,(H,13,14);1-5H;/q2*-5;
InChIKey PHZRPGNBDNLYLB-UHFFFAOYSA-N
Molecular Weight 306.142 g/mol
SMILES OC(=O)c1ccccc1[C-]1[CH-][CH-][CH-][CH-]1.[Fe].[CH-]1[CH-][CH-][CH-][CH-]1
SPLASH splash10-0a4i-0479000000-60935d76998eaa5d4c01
Source of Spectrum AD-0-5493-0
Synonyms 1-(2-carboxyphenyl)cyclopentane-1,2,3,4,5-pentaide cyclopentane-1,2,3,4,5-pentaide iron 2-Ferrocenylbenzoic acid
Wiley ID 45501