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Iron, hexacarbonyl[.mu.-[(2,3,4,5-.eta.:8,9,10,11-.eta.)-4,9-dimethyl-2,4,6,8,10-dodecapentaene-1,12-diol]]di-, stereoisomer
SpectraBase Compound ID 5R72pe3RpYF
InChI InChI=1S/C14H20O2.6CO.2Fe/c1-13(9-5-11-15)7-3-4-8-14(2)10-6-12-16;6*1-2;;/h3-10,15-16H,11-12H2,1-2H3;;;;;;;;/b4-3+;;;;;;;;
InChIKey HCSXOECOJIBHPA-FSEHQYEXSA-N
Mol Weight 500.06 g/mol
Molecular Formula C20H20Fe2O8
Exact Mass 499.98569 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7pDfWYK7QG5
Name Iron, hexacarbonyl[.mu.-[(2,3,4,5-.eta.:8,9,10,11-.eta.)-4,9-dimethyl-2,4,6,8,10-dodecapentaene-1,12-diol]]di-, stereoisomer
CAS Registry Number 122084-03-1
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H20Fe2O8
InChI InChI=1S/C14H20O2.6CO.2Fe/c1-13(9-5-11-15)7-3-4-8-14(2)10-6-12-16;6*1-2;;/h3-10,15-16H,11-12H2,1-2H3;;;;;;;;/b4-3+;;;;;;;;
InChIKey HCSXOECOJIBHPA-FSEHQYEXSA-N
Molecular Weight 500.062 g/mol
SMILES OCC1C2C3([Fe]12(C3\C=C\C1[Fe]23(C(CO)C2C13C)(C#[O])(C#[O])C#[O])(C#[O])(C#[O])C#[O])C
SPLASH splash10-0002-0902200000-68529274c4ba7bdd8a13
Source of Spectrum H-71-1140-61
Synonyms 2,4,6,8,10-Dodecapentaene-1,12-diol, 4,9-dimethyl-, iron complex, (all-E)- Hexacarbonyl[2-5.eta.:8-11.eta.-(2E,4E,6E,8E,10E)-4,9-dimethyl-2,4,6,8,10-dodecapentaene-1,12-diol]diiron
Wiley ID 1398793