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Fumaric acid, 4-methoxyphenyl naphth-2-ylmethyl ester
SpectraBase Compound ID ItSHKniwodk
InChI InChI=1S/C22H18O5/c1-25-19-8-10-20(11-9-19)27-22(24)13-12-21(23)26-15-16-6-7-17-4-2-3-5-18(17)14-16/h2-14H,15H2,1H3/b13-12+
InChIKey UFCUGCDPDVEOQA-OUKQBFOZSA-N
Mol Weight 362.38 g/mol
Molecular Formula C22H18O5
Exact Mass 362.115424 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID HSkeYknqDyu
Name Fumaric acid, 4-methoxyphenyl naphth-2-ylmethyl ester
Comments Computed using HOSE algorithm
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Exact Mass 362.115423675 u
Formula C22H18O5
InChI InChI=1S/C22H18O5/c1-25-19-8-10-20(11-9-19)27-22(24)13-12-21(23)26-15-16-6-7-17-4-2-3-5-18(17)14-16/h2-14H,15H2,1H3/b13-12+
InChIKey UFCUGCDPDVEOQA-OUKQBFOZSA-N
Molecular Weight 362.381 g/mol
SMILES C(\C=C\C(OCC1=CC2=C(C=CC=C2)C=C1)=O)(OC1=CC=C(C=C1)OC)=O