SpectraBase Spectrum ID |
Ck35LuKriPc |
Name |
[exo-4-[(1-4-.eta.)-1,3-cyclohexadien-5-yl]propionitrile]tricarbonyliron complex |
Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
Formula |
C12H11FeNO3 |
InChI |
InChI=1S/C9H11N.3CO.Fe/c10-8-4-7-9-5-2-1-3-6-9;3*1-2;/h1-3,5,9H,4,6-7H2;;;; |
InChIKey |
RNYPZDMBBPGKNO-UHFFFAOYSA-N |
Molecular Weight |
273.069 g/mol |
SMILES |
[C@]12([Fe]34([C@]2(C(CCC#N)C[C@@]4([C@]13[H])[H])[H])(C#[O])(C#[O])C#[O])[H] |
SPLASH |
splash10-000i-3910000000-ba1e2164a3d3ec0b2493 |
Source of Spectrum |
C-115-5948-4 |
Synonyms |
3-[1,1,1-tris(hydroxymethyl)-1-ferratetracyclo[3.2.0.0(1,6).0(2,7)]heptan-3-yl]propanenitrile |
Wiley ID |
1277018 |