For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.
Iron, tricarbonyl[[(1,2,3,4-.eta.)-1,3-hexadienyl]benzene]-, stereoisomer
SpectraBase Compound ID 6sa1pdaISEu
InChI InChI=1S/C12H14.3CO.Fe/c1-2-3-4-6-9-12-10-7-5-8-11-12;3*1-2;/h3-11H,2H2,1H3;;;;
InChIKey NMFHCAUUZXTRDW-UHFFFAOYSA-N
Mol Weight 298.12 g/mol
Molecular Formula C15H14FeO3
Exact Mass 298.02923 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID 9oSGxXeHOQN
Name Iron, tricarbonyl[[(1,2,3,4-.eta.)-1,3-hexadienyl]benzene]-, stereoisomer
CAS Registry Number 62341-67-7
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C15H14FeO3
InChI InChI=1S/C12H14.3CO.Fe/c1-2-3-4-6-9-12-10-7-5-8-11-12;3*1-2;/h3-11H,2H2,1H3;;;;
InChIKey NMFHCAUUZXTRDW-UHFFFAOYSA-N
Molecular Weight 298.119 g/mol
SMILES C12[Fe]3(C2c2ccccc2)(C1C3CC)(C#[O])(C#[O])C#[O]
SPLASH splash10-03di-0090000000-673fe8da35a2acedb524
Source of Spectrum AG-122-386-5
Synonyms (tricarbonyl)(trans,trans-1-phenyl-1,3-hexadiene)iron 2-Ethyl-1,1,1-tris(hydroxymethyl)-5-phenyl-1-ferratricyclo[2.1.0.0(1,3)]pentane Benzene, 1,3-hexadienyl-, iron complex, (E,E)-
Wiley ID 1300710