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(4S*,5R*)-[(5,8-.eta.)1-Acetoxy-4-hdroxy-trans-5,7-octadiene]tricarbonyliron complex
SpectraBase Compound ID JV4soknQiep
InChI InChI=1S/C10H16O3.3CO.Fe/c1-3-4-6-10(12)7-5-8-13-9(2)11;3*1-2;/h3-4,6,10,12H,1,5,7-8H2,2H3;;;;/t10-;;;;/m1..../s1
InChIKey ZXMIUXPVEDIBLT-USOZLSCGSA-N
Mol Weight 324.11 g/mol
Molecular Formula C13H16FeO6
Exact Mass 324.029624 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1gGPlnxeaHz
Name (4S*,5R*)-[(5,8-.eta.)1-Acetoxy-4-hdroxy-trans-5,7-octadiene]tricarbonyliron complex
Alternate Name(s) (4S*,5R*)-[(5,8-.eta.)1-Acetoxy-4-hydroxy-trans-5,7-octadiene]tricarbonyliron complex
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H16FeO6
InChI InChI=1S/C10H16O3.3CO.Fe/c1-3-4-6-10(12)7-5-8-13-9(2)11;3*1-2;/h3-4,6,10,12H,1,5,7-8H2,2H3;;;;/t10-;;;;/m1..../s1
InChIKey ZXMIUXPVEDIBLT-USOZLSCGSA-N
Molecular Weight 324.110 g/mol
SMILES O[C@](C1[Fe]23(C1C3C2)(C#[O])(C#[O])C#[O])(CCCOC(=O)C)[H]
SPLASH splash10-0036-5890000000-d02d0fbb57625eee62ae
Source of Spectrum QA-41-133-4
Wiley ID 861858