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(2R)-tricarbonyl(2-methyl-4,4-diphenylbuta-2,3-dienoic acid)iron
SpectraBase Compound ID ILb7Pwn85ye
InChI InChI=1S/C17H14O2.3CO.Fe/c1-13(17(18)19)12-16(14-8-4-2-5-9-14)15-10-6-3-7-11-15;3*1-2;/h2-11H,1H3,(H,18,19);;;;
InChIKey DRPZWFRJDRBCDJ-UHFFFAOYSA-N
Mol Weight 390.17 g/mol
Molecular Formula C20H14FeO5
Exact Mass 390.01906 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3bUrFiAHwc9
Name (2R)-tricarbonyl(2-methyl-4,4-diphenylbuta-2,3-dienoic acid)iron
Alternate Name(s) (2S)-tricarbonyl(2-methyl-4,4-diphenylbuta-2,3-dienoic acid)iron (2R)-3-(diphenylmethylidene)-1,1,1-tris(hydroxymethyl)-2-methyl-1-ferracyclopropane-2-carboxylic acid
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Formula C20H14FeO5
InChI InChI=1S/C17H14O2.3CO.Fe/c1-13(17(18)19)12-16(14-8-4-2-5-9-14)15-10-6-3-7-11-15;3*1-2;/h2-11H,1H3,(H,18,19);;;;
InChIKey DRPZWFRJDRBCDJ-UHFFFAOYSA-N
Molecular Weight 390.172 g/mol
SMILES OC([C@@]1([Fe](C1=C(c1ccccc1)c1ccccc1)(C#[O])(C#[O])C#[O])C)=O
SPLASH splash10-0k92-0920000000-de2237d1ccefc1703bf2
Source of Spectrum H-73-1739-5
Wiley ID 1364691