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Iron, tricarbonyl[(2,3,4,5-.eta.)-1-(hydroxyphenylmethyl)-4-methoxy-2,4-cyclohexadiene-1-carbonitrile]-, stereoisomer
SpectraBase Compound ID F1ZAg15p0nI
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
Mol Weight 381.165 g/mol
Molecular Formula C18H15FeNO5
Exact Mass 381.029959 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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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