| SpectraBase Spectrum ID |
K98NhYo61Tw |
| Name |
Tricarbonyl[2-5.eta.-(ethyl) (2E,4E)-3-methyl-6-oxo-2,4-hexadienoate] iron |
| CAS Registry Number |
122083-98-1 |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C12H12FeO6 |
| InChI |
InChI=1S/C9H12O3.3CO.Fe/c1-3-12-9(11)7-8(2)5-4-6-10;3*1-2;/h4-7H,3H2,1-2H3;;;; |
| InChIKey |
VBAQUPCHTMDIFN-UHFFFAOYSA-N |
| Molecular Weight |
308.067 g/mol |
| SMILES |
C12([Fe]3(C2C3C=O)(C1C(=O)OCC)(C#[O])(C#[O])C#[O])C |
| SPLASH |
splash10-0fi0-0960000000-fa6eac870403bc099a20 |
| Source of Spectrum |
H-71-1139-55 |
| Synonyms |
Ethyl 5-formyl-1,1,1-tris(hydroxymethyl)-3-methyl-1-ferratricyclo[2.1.0.0(1,3)]pentane-2-carboxylate |
| Wiley ID |
1309356 |
![Tricarbonyl[2-5.eta.-(ethyl) (2E,4E)-3-methyl-6-oxo-2,4-hexadienoate] iron](/api/spectrum/K98NhYo61Tw/structure.png?h=300&w=458 "Tricarbonyl[2-5.eta.-(ethyl) (2E,4E)-3-methyl-6-oxo-2,4-hexadienoate] iron")
