| SpectraBase Spectrum ID |
5dfPnGKT0Z3 |
| Name |
(-)-(2S)-Tricarbonyl(.eta.(4)-6R-acetoxycyclohexa-1,3-dienone)iron(0) |
| Alternate Name(s) |
(3S)-1,1,1-tris(hydroxymethyl)-4-oxo-1-ferratetracyclo[3.2.0.0(1,6).0(2,7)]heptan-3-yl acetate |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C11H8FeO6 |
| InChI |
InChI=1S/C8H8O3.3CO.Fe/c1-6(9)11-8-5-3-2-4-7(8)10;3*1-2;/h2-5,8H,1H3;;;;/t8-;;;;/m1..../s1 |
| InChIKey |
KMXUQFPMJUMVKF-XWCOYVICSA-N |
| Molecular Weight |
292.024 g/mol |
| SMILES |
[C@]12([Fe]34([C@]([C@](C2=O)(OC(=O)C)[H])([C@@]4([C@]13[H])[H])[H])(C#[O])(C#[O])C#[O])[H] |
| SPLASH |
splash10-0a4i-0090000000-1b8dfff8d6091df0ff23 |
| Source of Spectrum |
KC-0-2878-9 |
| Wiley ID |
782436 |
