SpectraBase Spectrum ID |
KUXdPx7MAHS |
Name |
(+-)-(3E)-Tricarbonyl[(3,6-.eta.4)-1-cyclohexyl-5-methylhexa-3,5-dien-1-one]iron(0) |
Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
Formula |
C16H20FeO4 |
InChI |
InChI=1S/C13H20O.3CO.Fe/c1-11(2)7-6-10-13(14)12-8-4-3-5-9-12;3*1-2;/h6-7,12H,1,3-5,8-10H2,2H3;;;;/q;3*+1; |
InChIKey |
HGMHUQSIFZRRGL-UHFFFAOYSA-N |
Molecular Weight |
332.177 g/mol |
SMILES |
[C@@]12([Fe]3(C2)([C@]1([C@]3(CC(=O)C1CCCCC1)[H])[H])(C#[O+])(C#[O+])C#[O+])C |
SPLASH |
splash10-08h9-6690000000-4f16a464c2f7d4894830 |
Source of Spectrum |
SO-0-663-2 |
Wiley ID |
874493 |