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Iron, tricarbonyl[dimethyl [(2,3,4,5-.eta.)-3-(trimethylsilyl)-2,4-cyclohexadien-1-yl]propanedio ate]-, stereoisomer
SpectraBase Compound ID 6fjrCMV7oYQ
InChI InChI=1S/C14H22O4Si.3CO.Fe/c1-17-13(15)12(14(16)18-2)10-7-6-8-11(9-10)19(3,4)5;3*1-2;/h6,8-10,12H,7H2,1-5H3;;;;
InChIKey RLPQRDCQGAINJC-UHFFFAOYSA-N
Mol Weight 422.29 g/mol
Molecular Formula C17H22FeO7Si
Exact Mass 422.048416 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4RqWSDbIDmR
Name Iron, tricarbonyl[dimethyl [(2,3,4,5-.eta.)-3-(trimethylsilyl)-2,4-cyclohexadien-1-yl]propanedio ate]-, stereoisomer
Alternate Name(s) 1,3-Dimethyl 2-[3-(trimethylsilyl)cyclohexa-2,4-dien-1-yl]propanedioate; {[bis(hydroxymethyl)ferrio]methylidyne}-oxidane Propanedioic acid, [3-(trimethylsilyl)-2,4-cyclohexadien-1-yl]-, dimethyl ester, iron complex Tricarbonyl{exo-6-[bis(methoxycarbonyl)methyl]-2-(trimethylsilyl)-1,3-cyclo-hexadiene}iron
CAS Registry Number 82133-77-5
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H22FeO7Si
InChI InChI=1S/C14H22O4Si.3CO.Fe/c1-17-13(15)12(14(16)18-2)10-7-6-8-11(9-10)19(3,4)5;3*1-2;/h6,8-10,12H,7H2,1-5H3;;;;
InChIKey RLPQRDCQGAINJC-UHFFFAOYSA-N
Molecular Weight 422.286 g/mol
SMILES C([Fe](C#[O])C#[O])#[O].C(C1C=C([Si](C)(C)C)C=CC1)(C(=O)OC)C(=O)OC
SPLASH splash10-000i-0009000000-1a323326f471f33e0dcf
Source of Spectrum K-115-1118-0
Wiley ID 1378450