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[(E,E)-Deca-2,7,9-trienyl(methoxy)methylene]pentacarbonyltungsten
SpectraBase Compound ID 63xvRk0rYUQ
InChI InChI=1S/C11H16O.5CO.W/c1-3-4-5-6-7-8-9-10-11-12-2;5*1-2;/h3-5,9-10H,1,6-8H2,2H3;;;;;;/b5-4+,10-9+;;;;;;
InChIKey JXRDNFGUAKYRHV-HZPOILMSSA-N
Mol Weight 488.14 g/mol
Molecular Formula C16H16O6W
Exact Mass 488.045621 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID LtvHOJ0icvk
Name [(E,E)-Deca-2,7,9-trienyl(methoxy)methylene]pentacarbonyltungsten
Comments Computed using HOSE algorithm
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Exact Mass 488.045621229 u
Formula C16H16O6W
InChI InChI=1S/C11H16O.5CO.W/c1-3-4-5-6-7-8-9-10-11-12-2;5*1-2;/h3-5,9-10H,1,6-8H2,2H3;;;;;;/b5-4+,10-9+;;;;;;
InChIKey JXRDNFGUAKYRHV-HZPOILMSSA-N
Molecular Weight 488.139 g/mol
SMILES C([W](C#[O])(C#[O])(C#[O])(C#[O])=C(\C=C\CCC\C=C\C=C)OC)#[O]