| SpectraBase Spectrum ID |
1Jpfev286R |
| Name |
Tricarbonyl-[1,3,5-.eta.-(2-syn-acetoxymethylcyclohept-4-ene-1,3-diyl)iron |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C13H14FeO5 |
| InChI |
InChI=1S/C10H14O2.3CO.Fe/c1-9(11)12-8-10-6-4-2-3-5-7-10;3*1-2;/h2,4,6-7,10H,3,5,8H2,1H3;;;;/t10-;;;;/m1..../s1 |
| InChIKey |
YSGNOVPAVIBTFM-USOZLSCGSA-N |
| Molecular Weight |
306.095 g/mol |
| SMILES |
[C@@]12([Fe]34([C@@]2(CC[C@]4([C@](COC(=O)C)([C@@]13[H])[H])[H])[H])(C#[O])(C#[O])C#[O])[H] |
| SPLASH |
splash10-0ff0-0490000000-0091d88be38cfdfc57c3 |
| Source of Spectrum |
F-52-5456-5 |
| Wiley ID |
796315 |
