| SpectraBase Compound ID | R0zJi5Li6A |
|---|---|
| InChI | InChI=1S/C8H12O2.3CO.Fe/c1-3-5-6-7-8(9)10-4-2;3*1-2;/h3,5-7H,4H2,1-2H3;;;;/b5-3+,7-6+;;;; |
| InChIKey | UZOCPGFHDLYTSZ-STNIBHKVSA-N |
| Mol Weight | 276.025 g/mol |
| Molecular Formula | C11H8FeO5 |
| Exact Mass | 275.972109 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 1alIX8LKcvv |
|---|---|
| Name | (Sorbic acid)iron tricarbonyl, ethyl ester |
| CAS Registry Number | 53110-58-0 |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C11H12FeO5 |
| InChI | InChI=1S/C8H12O2.3CO.Fe/c1-3-5-6-7-8(9)10-4-2;3*1-2;/h3,5-7H,4H2,1-2H3;;;;/b5-3+,7-6+;;;; |
| InChIKey | UZOCPGFHDLYTSZ-STNIBHKVSA-N |
| Molecular Weight | 276.025 g/mol |
| SMILES | [Fe].C[C][C][C][C]C(=O)OCC.[O+]#[C-].[C-]#[O+].[C-]#[O+] |
| SPLASH | splash10-00di-4920000000-c210c626324b423d3efc |
| Synonyms | Iron, tricarbonyl(sorbic acid)-, ethyl ester Iron, tricarbonyl[(2,3,4,5-.eta.)-ethyl 2,4-hexadienoate]-, stereoisomer 2,4-Hexadienoic acid, ethyl ester, iron complex, (E,E)- Eisen, tricarbonyl-2,4-hexadiensaeureethylester Iron, tricarbonyl[(1,2,3,4-.eta.<4>)-(2,4-hexadienoic acid ethyl ester, (E,E)- Iron,tricarbonyl[(1,2,3,4-.eta.)-(2,4-hexadienoic acid ethyl ester, (E,E)- |
| Wiley ID | 1501132 |