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Ferrocene, 1-formyl-3-(methoxycarbonyl)-, stereoisomer
SpectraBase Compound ID GEXBJZLaNPw
InChI InChI=1S/C8H7O3.C5H5.Fe/c1-11-8(10)7-3-2-6(4-7)5-9;1-2-4-5-3-1;/h2-5H,1H3;1-5H;/q2*-5;
InChIKey XBYRFOFKLZDVTI-UHFFFAOYSA-N
Mol Weight 272.08 g/mol
Molecular Formula C13H12FeO3
Exact Mass 272.01358 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BRl4QUdLQLG
Name Ferrocene, 1-formyl-3-(methoxycarbonyl)-, stereoisomer
CAS Registry Number 64478-06-4
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H12FeO3
InChI InChI=1S/C8H7O3.C5H5.Fe/c1-11-8(10)7-3-2-6(4-7)5-9;1-2-4-5-3-1;/h2-5H,1H3;1-5H;/q2*-5;
InChIKey XBYRFOFKLZDVTI-UHFFFAOYSA-N
Molecular Weight 272.081 g/mol
SMILES COC(=O)[C-]1[CH-][CH-][C-]([CH-]1)C=O.[Fe].[CH-]1[CH-][CH-][CH-][CH-]1
SPLASH splash10-00di-1940000000-88a386a01208c05565e4
Source of Spectrum O-20-108-10
Synonyms 3-formyl-1-[methoxy(oxo)methane]cyclopentane-1,2,3,4,5-pentaide cyclopentane-1,2,3,4,5-pentaide iron Methyl 3-formyl-1-ferrocenecarboxylate
Wiley ID 1275827