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1'-(Cyanomethyl)-1-acetylferrocene
SpectraBase Compound ID 9iT2tDXk1pC
InChI InChI=1S/C7H6N.C7H7O.Fe/c8-6-5-7-3-1-2-4-7;1-6(8)7-4-2-3-5-7;/h1-4H,5H2;2-5H,1H3;
InChIKey RLWCQYGATXLRNE-UHFFFAOYSA-N
Mol Weight 267.11 g/mol
Molecular Formula C14H13FeNO
Exact Mass 267.03465 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1YsT3R9tgz4
Name 1'-(Cyanomethyl)-1-acetylferrocene
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H13FeNO
InChI InChI=1S/C7H6N.C7H7O.Fe/c8-6-5-7-3-1-2-4-7;1-6(8)7-4-2-3-5-7;/h1-4H,5H2;2-5H,1H3;
InChIKey RLWCQYGATXLRNE-UHFFFAOYSA-N
Molecular Weight 267.109 g/mol
SMILES C=1(C([Fe]C2C(=CC=C2)CC#N)C=CC1)C(=O)C
SPLASH splash10-0600-2290000000-a6c013fc6159d77f4c74
Source of Spectrum J-58-2016-0
Synonyms (2-acetylcyclopenta-2,4-dien-1-yl)[2-(cyanomethyl)cyclopenta-2,4-dien-1-yl]iron 2-cyclopentylacetonitrile; 1-cyclopentylethanone; iron 2-cyclopentylethanenitrile; 1-cyclopentylethanone; iron 2-cyclopentylethanenitrile;1-cyclopentylethanone;iron
Wiley ID 1271097