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(3E)-2,4-Diethoxy-6-phenyl-1-pentacarbonyltungsta-1,3-hexadien-5-yne
SpectraBase Compound ID 40PhYvqYRtu
InChI InChI=1S/C15H16O2.5CO.W/c1-3-16-13-12-15(17-4-2)11-10-14-8-6-5-7-9-14;5*1-2;/h5-9,12H,3-4H2,1-2H3;;;;;;/b15-12+;;;;;;
InChIKey NZLYWAXSMUIMDA-ZGAMTMRZSA-N
Mol Weight 552.18 g/mol
Molecular Formula C20H16O7W
Exact Mass 552.040536 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 3tiUwW2Tc4e
Name (3E)-2,4-Diethoxy-6-phenyl-1-pentacarbonyltungsta-1,3-hexadien-5-yne
Comments Computed using HOSE algorithm
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Exact Mass 552.040535848 u
Formula C20H16O7W
InChI InChI=1S/C15H16O2.5CO.W/c1-3-16-13-12-15(17-4-2)11-10-14-8-6-5-7-9-14;5*1-2;/h5-9,12H,3-4H2,1-2H3;;;;;;/b15-12+;;;;;;
InChIKey NZLYWAXSMUIMDA-ZGAMTMRZSA-N
Molecular Weight 552.182 g/mol
SMILES C(=[W](C#[O])(C#[O])(C#[O])(C#[O])C#[O])(\C=C/(C#CC1=CC=CC=C1)OCC)OCC