![Iron, tricarbonyl[(1,2,3,4-.eta.)-2-methyl-1,3-butadiene]-, stereoisomer](/api/spectrum/8pYP2nVLe4Q/structure.png?h=300&w=458 "Iron, tricarbonyl[(1,2,3,4-.eta.)-2-methyl-1,3-butadiene]-, stereoisomer")
| SpectraBase Compound ID | 8NHwX2co04e |
|---|---|
| InChI | InChI=1S/C5H8.3CO.Fe/c1-4-5(2)3;3*1-2;/h4H,1-2H2,3H3;;;;/q-4;;;; |
| InChIKey | MNFIIXKLUGYPCX-UHFFFAOYSA-N |
| Mol Weight | 207.994 g/mol |
| Molecular Formula | C8H8FeO3 |
| Exact Mass | 207.98228 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 8pYP2nVLe4Q |
|---|---|
| Name | Iron, tricarbonyl[(1,2,3,4-.eta.)-2-methyl-1,3-butadiene]-, stereoisomer |
| CAS Registry Number | 32731-93-4 |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C8H8FeO3 |
| InChI | InChI=1S/C5H8.3CO.Fe/c1-4-5(2)3;3*1-2;/h4H,1-2H2,3H3;;;;/q-4;;;; |
| InChIKey | MNFIIXKLUGYPCX-UHFFFAOYSA-N |
| Molecular Weight | 207.994 g/mol |
| SMILES | C[C-]([CH2-])[CH-][CH2-].[Fe].[C-]#[O+].[C-]#[O+].[C-]#[O+] |
| SPLASH | splash10-0kh9-4910000000-deb0410b70e4a663b110 |
| Source of Spectrum | O-3-212-3 |
| Synonyms | 2-Methyl-buta-1,3-diene iron carbonyl complex 3-Methylbutane-1,2,3,4-tetraide tris(methanidylidyneoxidanium) iron Iron, tricarbonyl[(1,2,3,4-.eta.)-2-methyl-1,3-butadiene]- Iron, tricarbonyl[(1,2,3,4-.eta.<4>)-2-methyl-1,3-butadiene]-, stereoisomer Iron, tricarbonyl[(1,2,3,4-eta)-2-methyl-1,3-butadiene]- Iron, tricarbonyl[(1,2,3,4-eta)-2-methyl-1,3-butadiene]-, stereoisomer Iron, tricarbonyl[(1,2,3,4-eta4)-2-methyl-1,3-butadiene]-, stereoisomer Tricarbonyl(2-methyl-1,3-butadiene)iron Tricarbonyl(isoprene)iron |
| Wiley ID | 1206214 |