| SpectraBase Spectrum ID |
DtWS2MQuxzE |
| Name |
Iron, tricarbonyl[(3,4,5,6-.eta.)-1,3,5-cycloheptatriene-1-carbonitrile]- |
| Alternate Name(s) |
1,1,1-tris(hydroxymethyl)-1-ferratetracyclo[4.2.0.0(1,7).0(2,8)]oct-3-ene-4-carbonitrile
1,3,5-Cycloheptatriene-1-carbonitrile, iron complex
Tricarbonyl(1-4-.eta.-6-cyanocyclohepta-1,3,5-triene)iron |
| CAS Registry Number |
116852-14-3 |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C11H7FeNO3 |
| InChI |
InChI=1S/C8H7N.3CO.Fe/c9-7-8-5-3-1-2-4-6-8;3*1-2;/h1-5H,6H2;;;; |
| InChIKey |
YHPKNCPDWRLMDI-UHFFFAOYSA-N |
| Molecular Weight |
257.026 g/mol |
| SMILES |
[C@]12([Fe]34([C@]2([C@@]4(CC(C#N)=C[C@]13[H])[H])[H])(C#[O])(C#[O])C#[O])[H] |
| SPLASH |
splash10-00di-0930000000-e53f06701dffa1471371 |
| Source of Spectrum |
KC-1989-1022-4 |
| Wiley ID |
1260538 |
![Iron, tricarbonyl[(3,4,5,6-.eta.)-1,3,5-cycloheptatriene-1-carbonitrile]-](/api/spectrum/DtWS2MQuxzE/structure.png?h=300&w=458 "Iron, tricarbonyl[(3,4,5,6-.eta.)-1,3,5-cycloheptatriene-1-carbonitrile]-")
