| SpectraBase Spectrum ID |
QNn9qvmNpd |
| Name |
Tricarbonyl(1.alpha.-cyano-3-methoxycyclohexa-2,4-diene)iron |
| CAS Registry Number |
94667-93-3 |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C11H9FeNO4 |
| InChI |
InChI=1S/C8H9NO.3CO.Fe/c1-10-8-4-2-3-7(5-8)6-9;3*1-2;/h2-5,7-8H,1H3;;;;/t7-,8+;;;;/m0..../s1 |
| InChIKey |
AQSJUSFVOFBPTC-JWQBCWJNSA-N |
| Molecular Weight |
275.041 g/mol |
| SMILES |
[C@@]12([Fe]34([C@@]2([C@@]([C@]4([C@](OC)([C@@]13[H])[H])[H])(C#N)[H])[H])(C#[O])(C#[O])C#[O])[H] |
| SPLASH |
splash10-03di-0930000000-48c7cfae9347c5d12f69 |
| Source of Spectrum |
J-50-713-0 |
| Synonyms |
(4R)-1,1,1-tris(hydroxymethyl)-6-methoxy-1-ferratetracyclo[3.2.0.0(1,3).0(2,7)]heptane-4-carbonitrile |
| Wiley ID |
1278847 |
