![Iron, tricarbonyl[1,1',1'',1'''-(.eta.4-1,3-cyclobutadiene-1,2,3,4-tetrayl)tetrakis[benzene]]-](/api/spectrum/5XIDgaVbtlk/structure.png?h=300&w=458 "Iron, tricarbonyl[1,1',1'',1'''-(.eta.4-1,3-cyclobutadiene-1,2,3,4-tetrayl)tetrakis[benzene]]-")
| SpectraBase Compound ID | 607eZY6SGfK |
|---|---|
| InChI | InChI=1S/C28H20.3CO.Fe/c1-5-13-21(14-6-1)25-26(22-15-7-2-8-16-22)28(24-19-11-4-12-20-24)27(25)23-17-9-3-10-18-23;3*1-2;/h1-20H;;;;/q-4;;;; |
| InChIKey | VJPGXIRRJVWIHN-UHFFFAOYSA-N |
| Mol Weight | 496.343 g/mol |
| Molecular Formula | C31H20FeO3 |
| Exact Mass | 496.076181 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 5XIDgaVbtlk |
|---|---|
| Name | Iron, tricarbonyl[1,1',1'',1'''-(.eta.4-1,3-cyclobutadiene-1,2,3,4-tetrayl)tetrakis[benzene]]- |
| Alternate Name(s) | 1,2,3,4-tetraphenylcyclobutane-1,2,3,4-tetraide tris(methanidylidyneoxidanium) iron Iron, tricarbonyl(1,2,3,4-tetraphenyl-1,3-cyclobutadiene)- Iron, tricarbonyl[1,1',1'',1'''-(.eta.4-1,3-cyclobutadiene-1,2,3,4-tetrayl)tetrakis[benzene]]- Iron, tricarbonyl[1,1',1'',1'''-(eta4-1,3-cyclobutadiene-1,2,3,4-tetrayl)tetrakis[benzene]]- Tetraphenylcyclobutadiene-iron-tricarbonyl Tricarbonyl(tetraphenylcyclobutadiene)iron Tricarbonyl(tetraphenylcyclobutadienyl)iron |
| CAS Registry Number | 31811-56-0 |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C31H20FeO3 |
| InChI | InChI=1S/C28H20.3CO.Fe/c1-5-13-21(14-6-1)25-26(22-15-7-2-8-16-22)28(24-19-11-4-12-20-24)27(25)23-17-9-3-10-18-23;3*1-2;/h1-20H;;;;/q-4;;;; |
| InChIKey | VJPGXIRRJVWIHN-UHFFFAOYSA-N |
| Molecular Weight | 496.343 g/mol |
| SMILES | c1ccc(cc1)[C-]1[C-]([C-]([C-]1c1ccccc1)c1ccccc1)c1ccccc1.[Fe].[C-]#[O+].[C-]#[O+].[C-]#[O+] |
| SPLASH | splash10-08gi-1260900000-d8d9a2e484c77c3445cb |
| Source of Spectrum | O3-0-1233-0 |
| Wiley ID | 1398311 |