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Ferrocene, 1-cyano-2-methyl-, stereoisomer
SpectraBase Compound ID DklQldKqaGH
InChI InChI=1S/C7H6N.C5H5.Fe/c1-6-3-2-4-7(6)5-8;1-2-4-5-3-1;/h2-4H,1H3;1-5H;/q2*-5;
InChIKey PQXNAPUWMFHQFK-UHFFFAOYSA-N
Mol Weight 225.07 g/mol
Molecular Formula C12H11FeN
Exact Mass 225.024085 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID EJYIyKqJUq7
Name Ferrocene, 1-cyano-2-methyl-, stereoisomer
CAS Registry Number 12241-75-7
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H11FeN
InChI InChI=1S/C7H6N.C5H5.Fe/c1-6-3-2-4-7(6)5-8;1-2-4-5-3-1;/h2-4H,1H3;1-5H;/q2*-5;
InChIKey PQXNAPUWMFHQFK-UHFFFAOYSA-N
Molecular Weight 225.072 g/mol
SMILES C[C-]1[CH-][CH-][CH-][C-]1C#N.[Fe].[CH-]1[CH-][CH-][CH-][CH-]1
SPLASH splash10-004i-3590000000-c23f83c0cab25363b0f9
Source of Spectrum O-20-109-13
Synonyms Ferrocenecarbonitrile, 2-methyl-, (-)- 2-cyano-1-methylcyclopentane-1,2,3,4,5-pentaide cyclopentane-1,2,3,4,5-pentaide iron 2-Methyl-1-ferrocenecarbonitrile
Wiley ID 1226352