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Ferroceneacetonitrile

View entire compound with spectra: 2 NMR

Ferroceneacetonitrile
SpectraBase Compound ID ImliJGhV2TE
InChI InChI=1S/C7H6N.C5H5.Fe/c8-6-5-7-3-1-2-4-7;1-2-4-5-3-1;/h1-4H,5H2;1-5H;/q2*-1;+2
InChIKey TWXGKHRATKMJNK-UHFFFAOYSA-N
Mol Weight 225.07 g/mol
Molecular Formula C12H11FeN
Exact Mass 225.024085 g/mol

13C Nuclear Magnetic Resonance (NMR) Spectrum

13C Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID G5Mx4qw3mDi
Name Ferroceneacetonitrile
Source of Sample Sigma-Aldrich Co. LLC.
Catalog Number 335053
Copyright Copyright © 2021-2024 Sigma-Aldrich Co. LLC. - Database Compilation Copyright © 2021 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H11FeN
InChI InChI=1S/C7H6N.C5H5.Fe/c8-6-5-7-3-1-2-4-7;1-2-4-5-3-1;/h1-4H,5H2;1-5H;/q2*-1;+2
InChIKey TWXGKHRATKMJNK-UHFFFAOYSA-N
Molecular Weight 225.072 g/mol
Observed nucleus 13C
Solvent CDCl3 & DMSO-d6
Source of Spectrum Sigma-Aldrich Co. LLC.
Synonyms Ferrocenylmethyl cyanide; NSC 301053
Wiley ID SIAL_13CNMR_013801