| SpectraBase Spectrum ID |
J1qopojmKHC |
| Name |
Iron, tricarbonyl[1-[(4,5,6,7-.eta.)-3-(2-propenyl)-1,4,6-cycloheptatrien-1-yl]ethanone]-, stereoisomer |
| Alternate Name(s) |
(1,4-.eta.5-acetyl-7-exo-allylcycloheptatriene)iron tricarbonyl
1-[1,1,1-tris(hydroxymethyl)-5-(prop-2-en-1-yl)-1-ferratetracyclo[4.2.0.0(1,7).0(2,8)]oct-3-en-3-yl]ethan-1-one
Ethanone, 1-[3-(2-propenyl)-1,4,6-cycloheptatrien-1-yl]-, iron complex |
| CAS Registry Number |
123933-76-6 |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C15H14FeO4 |
| InChI |
InChI=1S/C12H14O.3CO.Fe/c1-3-6-11-7-4-5-8-12(9-11)10(2)13;3*1-2;/h3-5,7-9,11H,1,6H2,2H3;;;; |
| InChIKey |
IHFGLFGLEUFELX-UHFFFAOYSA-N |
| Molecular Weight |
314.118 g/mol |
| SMILES |
[C@]12([Fe]34([C@]2(C(C(=O)C)=CC([C@@]4([C@]13[H])[H])CC=C)[H])(C#[O])(C#[O])C#[O])[H] |
| SPLASH |
splash10-0zgr-0950000000-da9885d3cef2adde9dfd |
| Source of Spectrum |
C-112-213-0 |
| Wiley ID |
1314795 |
![Iron, tricarbonyl[1-[(4,5,6,7-.eta.)-3-(2-propenyl)-1,4,6-cycloheptatrien-1-yl]ethanone]-, stereoisomer](/api/spectrum/J1qopojmKHC/structure.png?h=300&w=458 "Iron, tricarbonyl[1-[(4,5,6,7-.eta.)-3-(2-propenyl)-1,4,6-cycloheptatrien-1-yl]ethanone]-, stereoisomer")
