| SpectraBase Spectrum ID |
LHvaz42cqrj |
| Name |
Tricarbonyl-[Methyl pent-4-yn-1-oate]iron |
| Comments |
Note: The molecular formula of the structure shown is C9H8FeO5 - which differs from the formula reported for the mass spectrum (C13H10FeO6) |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C13H10FeO6 |
| InChI |
InChI=1S/C6H8O2.3CO.Fe/c1-3-4-5-6(7)8-2;3*1-2;/h1H,4-5H2,2H3;;;; |
| InChIKey |
CXCJESQBFQSGKH-UHFFFAOYSA-N |
| Molecular Weight |
252.003 g/mol |
| SMILES |
C(CCC#C)(=O)OC.[Fe].[C-]#[O+].[C-]#[O+].[C-]#[O+] |
| SPLASH |
splash10-0a4i-0090000000-734a280a19ad23a95114 |
| Source of Spectrum |
AC-1992-154-8 |
| Wiley ID |
748026 |
![Tricarbonyl-[Methyl pent-4-yn-1-oate]iron](/api/spectrum/LHvaz42cqrj/structure.png?h=300&w=458 "Tricarbonyl-[Methyl pent-4-yn-1-oate]iron")
