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(+-)-(4E)-Tricarbonyl[(4,7-.eta.4)-3,3,6-trimethylhepta-4,6-dien-1-yne]iron(0)
SpectraBase Compound ID HxzXCRH314d
InChI InChI=1S/C10H14.3CO.Fe/c1-6-10(4,5)8-7-9(2)3;3*1-2;/h1,7-8H,2H2,3-5H3;;;;/q;3*+1;
InChIKey QWRJGWBIGBTMIW-UHFFFAOYSA-N
Mol Weight 274.1 g/mol
Molecular Formula C13H14FeO3
Exact Mass 274.02923 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID H8KNAhzVv7x
Name (+-)-(4E)-Tricarbonyl[(4,7-.eta.4)-3,3,6-trimethylhepta-4,6-dien-1-yne]iron(0)
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H14FeO3
InChI InChI=1S/C10H14.3CO.Fe/c1-6-10(4,5)8-7-9(2)3;3*1-2;/h1,7-8H,2H2,3-5H3;;;;/q;3*+1;
InChIKey QWRJGWBIGBTMIW-UHFFFAOYSA-N
Molecular Weight 274.097 g/mol
SMILES [C@@]12([Fe]3(C2)([C@]1([C@]3(C(C#C)(C)C)[H])[H])(C#[O+])(C#[O+])C#[O+])C
SPLASH splash10-00r6-2950000000-8cdc3c57331a57276fcc
Source of Spectrum SO-0-665-7
Wiley ID 874474