| SpectraBase Spectrum ID |
DrN1dwM3fzw |
| Name |
Tricarbonyl[1.beta.-cyano-1.alpha.-(2-propenyl)cyclohexa-2,4-diene]iron |
| CAS Registry Number |
94570-59-9 |
| Copyright |
Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C13H11FeNO3 |
| InChI |
InChI=1S/C10H11N.3CO.Fe/c1-2-6-10(9-11)7-4-3-5-8-10;3*1-2;/h2-5,7H,1,6,8H2;;;;/t10-;;;;/m0..../s1 |
| InChIKey |
WPJUNJRPAHOZPA-CZEDPBFNSA-N |
| Molecular Weight |
285.080 g/mol |
| SMILES |
[C@]12([Fe]34([C@]2([C@@](C#N)(CC=C)C[C@@]4([C@]13[H])[H])[H])(C#[O])(C#[O])C#[O])[H] |
| SPLASH |
splash10-00di-0970000000-c9f442ca7f3ac3498b6d |
| Source of Spectrum |
J-50-714-0 |
| Synonyms |
(3S)-1,1,1-tris(hydroxymethyl)-3-(prop-2-en-1-yl)-1-ferratetracyclo[3.2.0.0(1,6).0(2,7)]heptane-3-carbonitrile |
| Wiley ID |
1288757 |
![Tricarbonyl[1.beta.-cyano-1.alpha.-(2-propenyl)cyclohexa-2,4-diene]iron](/api/spectrum/DrN1dwM3fzw/structure.png?h=300&w=458 "Tricarbonyl[1.beta.-cyano-1.alpha.-(2-propenyl)cyclohexa-2,4-diene]iron")
