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[(5-8.eta.)-Ethyl 7-methyl-cis-5,7-octadienoate]tricarbonyliron complex
SpectraBase Compound ID AVOmPU7VFwM
InChI InChI=1S/C11H18O2.3CO.Fe/c1-4-13-11(12)9-7-5-6-8-10(2)3;3*1-2;/h6,8H,2,4-5,7,9H2,1,3H3;;;;
InChIKey IRDOPSZSANZSBU-UHFFFAOYSA-N
Mol Weight 322.14 g/mol
Molecular Formula C14H18FeO5
Exact Mass 322.05036 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KTrrSapcUkW
Name [(5-8.eta.)-Ethyl 7-methyl-cis-5,7-octadienoate]tricarbonyliron complex
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H18FeO5
InChI InChI=1S/C11H18O2.3CO.Fe/c1-4-13-11(12)9-7-5-6-8-10(2)3;3*1-2;/h6,8H,2,4-5,7,9H2,1,3H3;;;;
InChIKey IRDOPSZSANZSBU-UHFFFAOYSA-N
Molecular Weight 322.138 g/mol
SMILES [C@@]12([Fe]3(C2)(C1[C@@]3(CCCC(=O)OCC)[H])(C#[O])(C#[O])C#[O])C
SPLASH splash10-00sd-9760000000-3bd4e70e17124995c0ab
Source of Spectrum C-115-5949-7
Synonyms Ethyl 4-[(2S,4R)-1,1,1-tris(hydroxymethyl)-4-methyl-1-ferratricyclo[2.1.0.0(1,3)]pentan-2-yl]butanoate
Wiley ID 1321384