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Iron, tricarbonyl[(1,2,3,4-.eta.)-7-methoxy-1,3,5-cycloheptatriene]-, stereoisomer
SpectraBase Compound ID JAfDuk4Kv1m
InChI InChI=1S/C8H10O.3CO.Fe/c1-9-8-6-4-2-3-5-7-8;3*1-2;/h2-8H,1H3;;;;
InChIKey CTYPTHKUBCHHCC-UHFFFAOYSA-N
Mol Weight 262.04 g/mol
Molecular Formula C11H10FeO4
Exact Mass 261.992845 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1g1uwkascyu
Name Iron, tricarbonyl[(1,2,3,4-.eta.)-7-methoxy-1,3,5-cycloheptatriene]-, stereoisomer
CAS Registry Number 125841-80-7
Comments Less than 3 mono-isotopic peaks
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Formula C11H10FeO4
InChI InChI=1S/C8H10O.3CO.Fe/c1-9-8-6-4-2-3-5-7-8;3*1-2;/h2-8H,1H3;;;;
InChIKey CTYPTHKUBCHHCC-UHFFFAOYSA-N
Molecular Weight 262.042 g/mol
SMILES C12[Fe]34(C2C4C=CC(C13)OC)(C#[O])(C#[O])C#[O]
SPLASH splash10-0006-9000000000-b01643fecd11e176312e
Source of Spectrum KC-1989-1022-4
Synonyms 1,1,1-tris(hydroxymethyl)-5-methoxy-1-ferratetracyclo[4.2.0.0(1,7).0(2,8)]oct-3-ene 1,3,5-Cycloheptatriene, 7-methoxy-, iron complex Tricarbonyl(1-4-.eta.-7-methoxycyclohepta-1,3,5-triene)iron
Wiley ID 1265307