| SpectraBase Spectrum ID |
3uwDy03d2Rb |
| Name |
(1RS,2RS,5SR,2E,4E)-Tricarbonyl-{[.eta(4).-(2->5)-1-cyanohexa-3,5-dienyl]acetate}-iron |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C12H11FeNO5 |
| InChI |
InChI=1S/C9H11NO2.3CO.Fe/c1-3-4-5-6-9(7-10)12-8(2)11;3*1-2;/h3-6,9H,1-2H3;;;;/t9-;;;;/m1..../s1 |
| InChIKey |
RTILNTQFWLTBPD-RASHCQHBSA-N |
| Molecular Weight |
305.067 g/mol |
| SMILES |
C12[Fe]3(C2[C@](C#N)(OC(=O)C)[H])(C1C3C)(C#[O])(C#[O])C#[O] |
| SPLASH |
splash10-001i-9010000000-f9865ab2f94d1dfa1635 |
| Source of Spectrum |
C-121-9149-3a |
| Wiley ID |
1700336 |
![(1RS,2RS,5SR,2E,4E)-Tricarbonyl-{[.eta(4).-(2->5)-1-cyanohexa-3,5-dienyl]acetate}-iron](/api/spectrum/3uwDy03d2Rb/structure.png?h=300&w=458 "(1RS,2RS,5SR,2E,4E)-Tricarbonyl-{[.eta(4).-(2->5)-1-cyanohexa-3,5-dienyl]acetate}-iron")
