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Iron, tricarbonyl[(2,3-.eta.)-7,7-dimethoxybicyclo[2.2.1]hept-2-ene-O]-, stereoisomer
SpectraBase Compound ID 7bYfI9eCMCv
InChI InChI=1S/C9H14O2.3CO.Fe/c1-10-9(11-2)7-3-4-8(9)6-5-7;3*1-2;/h3-4,7-8H,5-6H2,1-2H3;;;;/t7-,8+;;;;
InChIKey CIOUAQXGRARFJC-XFOIBMPCSA-N
Mol Weight 294.08 g/mol
Molecular Formula C12H14FeO5
Exact Mass 294.01906 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BJigCEUeUk2
Name Iron, tricarbonyl[(2,3-.eta.)-7,7-dimethoxybicyclo[2.2.1]hept-2-ene-O]-, stereoisomer
Alternate Name(s) 3,3,3-tris(hydroxymethyl)-8,8-dimethoxy-3-ferratricyclo[3.2.1.0(2,4)]octane Bicyclo[2.2.1]hept-2-ene, 7,7-dimethoxy-, iron complex Tricarbonyl[(1R,2S,3R,4S)-2,3-.eta.:o-.sigma.-(7,7-dimethoxybicyclo[2.2.1]hept-2-ene]iron
CAS Registry Number 122680-50-6
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H14FeO5
InChI InChI=1S/C9H14O2.3CO.Fe/c1-10-9(11-2)7-3-4-8(9)6-5-7;3*1-2;/h3-4,7-8H,5-6H2,1-2H3;;;;/t7-,8+;;;;
InChIKey CIOUAQXGRARFJC-XFOIBMPCSA-N
Molecular Weight 294.084 g/mol
SMILES [C@@]12([Fe]([C@]1([C@]1(CC[C@@]2(C1(OC)OC)[H])[H])[H])(C#[O])(C#[O])C#[O])[H]
SPLASH splash10-03dr-0090000000-77f421a63f84c2fa6263
Source of Spectrum H-71-1465-3
Wiley ID 1296751