SpectraBase Spectrum ID |
AevXhjaovjf |
Name |
Iron, tricarbonyl[(2,3,4,5-.eta.)-1-(hydroxyphenylmethyl)-4-methoxy-2,4-cyclohexadiene-1-carbonitrile]-, stereoisomer |
CAS Registry Number |
94667-98-8 |
Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
Formula |
C18H15FeNO5 |
InChI |
InChI=1S/C15H15NO2.3CO.Fe/c1-18-13-7-9-15(11-16,10-8-13)14(17)12-5-3-2-4-6-12;3*1-2;/h2-9,14,17H,10H2,1H3;;;;/t14?,15-;;;;/m1..../s1 |
InChIKey |
JGOMMPKVEAGOBR-SGQWKLAGSA-N |
Molecular Weight |
381.165 g/mol |
SMILES |
OC([C@@]1(C=CC(=CC1)OC)C#N)c1ccccc1.C([Fe](C#[O])C#[O])#[O] |
SPLASH |
splash10-03di-0930000000-d94058805df1fc0b04e0 |
Source of Spectrum |
J-50-714-0 |
Synonyms |
(1S)-1-[hydroxy(phenyl)methyl]-4-methoxycyclohexa-2,4-diene-1-carbonitrile; {[bis(hydroxymethyl)ferrio]methylidyne}-oxidane
2,4-Cyclohexadiene-1-carbonitrile, 1-(hydroxyphenylmethyl)-4-methoxy-, iron complex, (R*,R*)-
Tricarbonyl[1.beta.-cyano-1.alpha.-(phenylhydroxymethyl)-4-methoxycyclohexa-2,4-diene]iron |
Wiley ID |
1360108 |