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Tricarbonyl(2-4-N-(endo-6,7-isopropylidendioxybicyclo(3.2.1)oct-3-en-2-yl-8-syn-ylcarbonyl))iron
SpectraBase Compound ID EsIOEJ2DZyw
InChI InChI=1S/C12H14O3.3CO.Fe/c1-12(2)14-10-7-4-3-5-8(9(7)6-13)11(10)15-12;3*1-2;/h3-5,7-11H,1-2H3;;;;/t7-,8-,9?,10?,11?;;;;/m0..../s1
InChIKey ZJBIVIYXPKGHAU-JKDGVZOPSA-N
Mol Weight 346.12 g/mol
Molecular Formula C15H14FeO6
Exact Mass 346.013974 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID C8dfPTUjTcF
Name Tricarbonyl(2-4-N-(endo-6,7-isopropylidendioxybicyclo(3.2.1)oct-3-en-2-yl-8-syn-ylcarbonyl))iron
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C15H14FeO6
InChI InChI=1S/C12H14O3.3CO.Fe/c1-12(2)14-10-7-4-3-5-8(9(7)6-13)11(10)15-12;3*1-2;/h3-5,7-11H,1-2H3;;;;/t7-,8-,9?,10?,11?;;;;/m0..../s1
InChIKey ZJBIVIYXPKGHAU-JKDGVZOPSA-N
Molecular Weight 346.116 g/mol
SMILES [C@]12([Fe]34([C@]2([C@@]2(C5OC(C)(C)OC5[C@@]([C@]14[H])([C@]2(C3=O)[H])[H])[H])[H])(C#[O])(C#[O])C#[O])[H]
SPLASH splash10-01q9-3910000000-a8ae227b6dbb3e8e2846
Source of Spectrum K-112-595-0
Synonyms 12,12,12-tris(hydroxymethyl)-5,5-dimethyl-4,6-dioxa-12-ferrahexacyclo[6.5.0.0(2,11).0(3,7).0(9,12).0(10,12)]tridecan-13-one
Wiley ID 1338954