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Tricarbonyl-[1,3,5-.eta.-(2-syn-hydroxymethylcyclohept-4-ene-1,3-diyl)iron
SpectraBase Compound ID EIJCTNMw2tO
InChI InChI=1S/C8H12O.3CO.Fe/c9-7-8-5-3-1-2-4-6-8;3*1-2;/h1,3,5-6,8-9H,2,4,7H2;;;;/t8-;;;;/m1..../s1
InChIKey AXQIZFKCUBQAJI-XWCOYVICSA-N
Mol Weight 264.06 g/mol
Molecular Formula C11H12FeO4
Exact Mass 264.008495 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FtCj9fYj7hc
Name Tricarbonyl-[1,3,5-.eta.-(2-syn-hydroxymethylcyclohept-4-ene-1,3-diyl)iron
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C11H12FeO4
InChI InChI=1S/C8H12O.3CO.Fe/c9-7-8-5-3-1-2-4-6-8;3*1-2;/h1,3,5-6,8-9H,2,4,7H2;;;;/t8-;;;;/m1..../s1
InChIKey AXQIZFKCUBQAJI-XWCOYVICSA-N
Molecular Weight 264.058 g/mol
SMILES OC[C@]1([C@]2([Fe]34([C@]([C@]4(CC2)[H])([C@]13[H])[H])(C#[O])(C#[O])C#[O])[H])[H]
SPLASH splash10-0a59-0590000000-10d1398f91607999c773
Source of Spectrum F-52-5455-5
Wiley ID 796316