| SpectraBase Spectrum ID |
DQKHnbBgmW5 |
| Name |
(2S,5R,6R, 2E,4E)-Tricarbonyl-[.eta(4).-(2->5)-6-acetoxyhepta-2,4-dienal]-iron |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C12H12FeO6 |
| InChI |
InChI=1S/C9H12O3.3CO.Fe/c1-8(12-9(2)11)6-4-3-5-7-10;3*1-2;/h3-8H,1-2H3;;;;/t8-;;;;/m1..../s1 |
| InChIKey |
VYBANKIENDOOAW-XWCOYVICSA-N |
| Molecular Weight |
308.067 g/mol |
| SMILES |
C12[Fe]3(C2[C@](OC(=O)C)(C)[H])(C1C3C=O)(C#[O])(C#[O])C#[O] |
| SPLASH |
splash10-00di-0090000000-998523e9bcb466ec780c |
| Source of Spectrum |
C-121-9152-17 |
| Wiley ID |
1700323 |
![(2S,5R,6R, 2E,4E)-Tricarbonyl-[.eta(4).-(2->5)-6-acetoxyhepta-2,4-dienal]-iron](/api/spectrum/DQKHnbBgmW5/structure.png?h=300&w=458 "(2S,5R,6R, 2E,4E)-Tricarbonyl-[.eta(4).-(2->5)-6-acetoxyhepta-2,4-dienal]-iron")
