For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.
(2R,5R,6S,2E,4E)-Tricarbonyliron[(.eta.(4)-2-5)-6-hydroxyundeca-2,4-dienal]
SpectraBase Compound ID BhJpNPnF2FS
InChI InChI=1S/C11H18O2.3CO.Fe/c1-2-3-5-8-11(13)9-6-4-7-10-12;3*1-2;/h4,6-7,9-11,13H,2-3,5,8H2,1H3;;;;/q;3*+1;/t11-;;;;/m0..../s1
InChIKey XXRHNMYKSMYKER-HZAYLZKLSA-N
Mol Weight 322.14 g/mol
Molecular Formula C14H18FeO5
Exact Mass 322.05036 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID 4RdsVNlnPM
Name (2R,5R,6S,2E,4E)-Tricarbonyliron[(.eta.(4)-2-5)-6-hydroxyundeca-2,4-dienal]
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H18FeO5
InChI InChI=1S/C11H18O2.3CO.Fe/c1-2-3-5-8-11(13)9-6-4-7-10-12;3*1-2;/h4,6-7,9-11,13H,2-3,5,8H2,1H3;;;;/q;3*+1;/t11-;;;;/m0..../s1
InChIKey XXRHNMYKSMYKER-HZAYLZKLSA-N
Molecular Weight 322.138 g/mol
SMILES O[C@](C1[Fe]23(C(C3C=O)C12)(C#[O+])(C#[O+])C#[O+])(CCCCC)[H]
SPLASH splash10-01c0-9030000000-458c1d5e5894498332db
Source of Spectrum F-54-15576-3b
Synonyms (2S,5R,6S,2E,4E)-Tricarbonyliron[(.eta.(4)-2-5)-6-hydroxyundeca-2,4-dienal] 5-[(1S)-1-hydroxyhexyl]-1,1,1-tris(hydroxymethyl)-1-ferratricyclo[2.1.0.0(1,3)]pentane-2-carbaldehyde
Wiley ID 810108