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2-Cyano-1-(elta.-pentadienyl)cyclohexane Tricarbonyl Iron Complex
SpectraBase Compound ID 17xTifPYW1m
InChI InChI=1S/C12H17N.3CO.Fe/c1-2-3-4-7-11-8-5-6-9-12(11)10-13;3*1-2;/h2-4,11-12H,1,5-9H2;;;;/q;3*+1;/t11-,12+;;;;/m0..../s1
InChIKey JUIGADWTTKQQDB-QHSFPFIWSA-N
Mol Weight 315.15 g/mol
Molecular Formula C15H17FeNO3
Exact Mass 315.055779 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FxAMuIL0HOo
Name 2-Cyano-1-(elta.-pentadienyl)cyclohexane Tricarbonyl Iron Complex
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C15H17FeNO3
InChI InChI=1S/C12H17N.3CO.Fe/c1-2-3-4-7-11-8-5-6-9-12(11)10-13;3*1-2;/h2-4,11-12H,1,5-9H2;;;;/q;3*+1;/t11-,12+;;;;/m0..../s1
InChIKey JUIGADWTTKQQDB-QHSFPFIWSA-N
Molecular Weight 315.150 g/mol
SMILES [C@]12([Fe]3([C@]2(C3)[H])([C@@]1(C[C@@]1([C@@](C#N)(CCCC1)[H])[H])[H])(C#[O+])(C#[O+])C#[O+])[H]
SPLASH splash10-053r-2690000000-d2f2c226bf3c3cfb7be6
Source of Spectrum J-61-3876-11
Synonyms Tricarbonyl[1-cyanocyclohexane-2-(.eta.5-pentadienyl)]iron
Wiley ID 1290713