| SpectraBase Spectrum ID |
56sCKIyiG2Q |
| Name |
Tricarbonyl{1-4.eta.-[2-methyl-5-(1-methylethylidene)-1,3-cyclohexadiene]}iron |
| Alternate Name(s) |
1,1,1-tris(hydroxymethyl)-6-methyl-3-(prop-1-en-2-yl)-1-ferratetracyclo[3.2.0.0(1,6).0(2,7)]heptane |
| CAS Registry Number |
57349-53-8 |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C13H14FeO3 |
| InChI |
InChI=1S/C10H14.3CO.Fe/c1-8(2)10-6-4-9(3)5-7-10;3*1-2;/h4-6,10H,1,7H2,2-3H3;;;; |
| InChIKey |
JOWLAPYBLOCNGP-UHFFFAOYSA-N |
| Molecular Weight |
274.097 g/mol |
| SMILES |
[C@@]12([Fe]34([C@@]2(CC([C@]4([C@@]13[H])[H])C(=C)C)[H])(C#[O])(C#[O])C#[O])C |
| SPLASH |
splash10-00y3-0910000000-952b4b0f4c7a5590ca8f |
| Source of Spectrum |
K-123-1085-16 |
| Wiley ID |
1277821 |
![Tricarbonyl{1-4.eta.-[2-methyl-5-(1-methylethylidene)-1,3-cyclohexadiene]}iron](/api/spectrum/56sCKIyiG2Q/structure.png?h=300&w=458 "Tricarbonyl{1-4.eta.-[2-methyl-5-(1-methylethylidene)-1,3-cyclohexadiene]}iron")
