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Iron, tricarbonyl[(1,2,3,4-.eta.)-2-methyl-5-(1-methylethenyl)-1,3-cyclohex adiene]-, stereoisomer
SpectraBase Compound ID 6lNqsQiXRYz
InChI InChI=1S/C10H14.3CO.Fe/c1-8(2)10-6-4-9(3)5-7-10;3*1-2;/h4-6,10H,1,7H2,2-3H3;;;;/t10-;;;;/m1..../s1
InChIKey JOWLAPYBLOCNGP-USOZLSCGSA-N
Mol Weight 274.1 g/mol
Molecular Formula C13H14FeO3
Exact Mass 274.02923 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6jOXLrkosrj
Name Iron, tricarbonyl[(1,2,3,4-.eta.)-2-methyl-5-(1-methylethenyl)-1,3-cyclohex adiene]-, stereoisomer
CAS Registry Number 84235-50-7
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H14FeO3
InChI InChI=1S/C10H14.3CO.Fe/c1-8(2)10-6-4-9(3)5-7-10;3*1-2;/h4-6,10H,1,7H2,2-3H3;;;;/t10-;;;;/m1..../s1
InChIKey JOWLAPYBLOCNGP-USOZLSCGSA-N
Molecular Weight 274.097 g/mol
SMILES [C@@]12([Fe]34([C@@]2(C[C@@]([C@]4([C@@]13[H])[H])(C(=C)C)[H])[H])(C#[O])(C#[O])C#[O])C
SPLASH splash10-000i-0930000000-a4bb19462786eef53005
Source of Spectrum KC-1982-2454-0
Synonyms (3R)-1,1,1-tris(hydroxymethyl)-6-methyl-3-(prop-1-en-2-yl)-1-ferratetracyclo[3.2.0.0(1,6).0(2,7)]heptane 1,3-Cyclohexadiene, 2-methyl-5-(1-methylethenyl)-, iron complex Tricarbonyl[1-4-.eta.-2-methyl-5.alpha.-(1-methylethenyl)cyclo-hexa-1,3-diene]iron
Wiley ID 1277820