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2-Cyano-1-(elta.-pentadienyl)cyclopentane Tricarbonyl Iron Complex
SpectraBase Compound ID 1DiDfJKEXkt
InChI InChI=1S/C11H15N.3CO.Fe/c1-2-3-4-6-10-7-5-8-11(10)9-12;3*1-2;/h2-4,10-11H,1,5-8H2;;;;/t10-,11+;;;;/m0..../s1
InChIKey UOZGPQOESWUUHW-OSNOYMCCSA-N
Mol Weight 301.12 g/mol
Molecular Formula C14H15FeNO3
Exact Mass 301.040129 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DI6vtSW1mJT
Name 2-Cyano-1-(elta.-pentadienyl)cyclopentane Tricarbonyl Iron Complex
Alternate Name(s) Tricarbonyl[1-cyanocyclopentane-2-(.eta.5-pentadienyl)]iron
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H15FeNO3
InChI InChI=1S/C11H15N.3CO.Fe/c1-2-3-4-6-10-7-5-8-11(10)9-12;3*1-2;/h2-4,10-11H,1,5-8H2;;;;/t10-,11+;;;;/m0..../s1
InChIKey UOZGPQOESWUUHW-OSNOYMCCSA-N
Molecular Weight 301.123 g/mol
SMILES [C@@]12([Fe]3([C@@]2(C[C@@]2([C@@](C#N)(CCC2)[H])[H])[H])([C@]1(C3)[H])(C#[O])(C#[O])C#[O])[H]
SPLASH splash10-02ta-1190000000-a8b79d829f41e4a09462
Source of Spectrum J-61-3876-9
Wiley ID 1303680