| SpectraBase Spectrum ID |
3aEVAFIxX8o |
| Name |
Iron, tricarbonyl[(1,4,5,6-.eta.)-3,3-dimethyl-7-oxo-5-cycloheptene-1,4-diy l]- |
| CAS Registry Number |
94889-30-2 |
| Copyright |
Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C12H12FeO4 |
| InChI |
InChI=1S/C9H12O.3CO.Fe/c1-9(2)6-3-4-8(10)5-7-9;3*1-2;/h3-6H,7H2,1-2H3;;;; |
| InChIKey |
RUJKQNXGOXGNPE-UHFFFAOYSA-N |
| Molecular Weight |
276.069 g/mol |
| SMILES |
[C@@]12([Fe]34([C@@]2([C@]4(C(C)(C)C[C@]3(C1=O)[H])[H])[H])(C#[O])(C#[O])C#[O])[H] |
| SPLASH |
splash10-0a4i-9520000000-3bb4d92d55fa31f1bef6 |
| Source of Spectrum |
K-117-3484-6 |
| Synonyms |
1,1,1-tris(hydroxymethyl)-7,7-dimethyl-1-ferratetracyclo[3.3.0.0(1,3).0(2,8)]octan-4-one
2-Cyclohepten-1-one, 5,5-dimethyl-, iron complex
Tricarbonyl[(1,3,4,5-.eta.)-6,6-dimethyl-2-oxo-4-cyclohepten-1,3-diyl]iron |
| Wiley ID |
1279614 |
![Iron, tricarbonyl[(1,4,5,6-.eta.)-3,3-dimethyl-7-oxo-5-cycloheptene-1,4-diy l]-](/api/spectrum/3aEVAFIxX8o/structure.png?h=300&w=458 "Iron, tricarbonyl[(1,4,5,6-.eta.)-3,3-dimethyl-7-oxo-5-cycloheptene-1,4-diy l]-")
