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Ferrocene, (carboxyethynyl)-
SpectraBase Compound ID 2OSjfZzg41j
InChI InChI=1S/C8H5O2.C5H5.Fe/c9-8(10)6-5-7-3-1-2-4-7;1-2-4-5-3-1;/h1-4H,(H,9,10);1-5H;/q2*-5;
InChIKey OUSFSLXQORSZHO-UHFFFAOYSA-N
Mol Weight 254.07 g/mol
Molecular Formula C13H10FeO2
Exact Mass 254.003016 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Kc9l4bPkJTd
Name Ferrocene, (carboxyethynyl)-
CAS Registry Number 1291-50-5
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H10FeO2
InChI InChI=1S/C8H5O2.C5H5.Fe/c9-8(10)6-5-7-3-1-2-4-7;1-2-4-5-3-1;/h1-4H,(H,9,10);1-5H;/q2*-5;
InChIKey OUSFSLXQORSZHO-UHFFFAOYSA-N
Molecular Weight 254.066 g/mol
SMILES OC(=O)C#C[C-]1[CH-][CH-][CH-][CH-]1.[Fe].[CH-]1[CH-][CH-][CH-][CH-]1
SPLASH splash10-03di-3490000000-2ecb6ded7b3e51d637f5
Source of Spectrum AD-0-5492-0
Synonyms 1-(2-carboxyeth-1-yn-1-yl)cyclopentane-1,2,3,4,5-pentaide cyclopentane-1,2,3,4,5-pentaide iron Ferrocenylpropynoic acid
Wiley ID 35890