| SpectraBase Compound ID | BUDpUTkAXUR |
|---|---|
| InChI | InChI=1S/C7H10.3CO.Fe/c1-7(2)5-3-4-6-7;3*1-2;/h3-6H,1-2H3;;;; |
| InChIKey | JXKXPXDLTMNAGB-UHFFFAOYSA-N |
| Mol Weight | 234.03 g/mol |
| Molecular Formula | C10H10FeO3 |
| Exact Mass | 233.99793 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 5refTBdBNvM |
|---|---|
| Name | 1,3-Cyclopentadiene, 5,5-dimethyl-, iron complex |
| CAS Registry Number | 42535-31-9 |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C10H10FeO3 |
| InChI | InChI=1S/C7H10.3CO.Fe/c1-7(2)5-3-4-6-7;3*1-2;/h3-6H,1-2H3;;;; |
| InChIKey | JXKXPXDLTMNAGB-UHFFFAOYSA-N |
| Molecular Weight | 234.032 g/mol |
| SMILES | [C@@]12([Fe]34([C@@]2([C@]4(C(C)(C)[C@@]13[H])[H])[H])(C#[O])(C#[O])C#[O])[H] |
| SPLASH | splash10-0a59-4910000000-bacf6713917057385164 |
| Source of Spectrum | AG-55-167-1 |
| Synonyms | Iron, tricarbonyl[(1,2,3,4-.eta.)-5,5-dimethyl-1,3-cyclopentadiene]- 1,1,1-tris(hydroxymethyl)-5,5-dimethyl-1-ferratetracyclo[2.2.0.0(1,3).0(2,6)]hexane 5,5-Dimethylcyclopentadienyl iron tricarbonyl Iron, eta4-5,5-dimethylcyclopentadiene tricarbonyl Tricarbonyl[1,2,3,4-.eta.-(5,5-dimethyl-1,3-cyclopentadien)]iron |
| Wiley ID | 1235491 |