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acetic acid, [[(2Z)-2,3-dihydro-2-[(3-methylphenyl)methylene]-3-oxobenzofuranyl]oxy]-, ethyl ester
SpectraBase Compound ID 26h2c1CviXC
InChI InChI=1S/C20H18O5/c1-3-23-19(21)12-24-15-7-8-16-17(11-15)25-18(20(16)22)10-14-6-4-5-13(2)9-14/h4-11H,3,12H2,1-2H3/b18-10-
InChIKey NBXAKLAUUGOAFM-ZDLGFXPLSA-N
Mol Weight 338.36 g/mol
Molecular Formula C20H18O5
Exact Mass 338.115424 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID GO2tzsl7WZs
Name Acetic acid, [[(2Z)-2,3-dihydro-2-[(3-methylphenyl)methylene]-3-oxobenzofuranyl]oxy]-, ethyl ester
Comments Computed using HOSE algorithm
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Exact Mass 338.115423675 u
Formula C20H18O5
InChI InChI=1S/C20H18O5/c1-3-23-19(21)12-24-15-7-8-16-17(11-15)25-18(20(16)22)10-14-6-4-5-13(2)9-14/h4-11H,3,12H2,1-2H3/b18-10-
InChIKey NBXAKLAUUGOAFM-ZDLGFXPLSA-N
Molecular Weight 338.359 g/mol
SMILES C1(\C(OC2=CC(=CC=C12)OCC(=O)OCC)=C\C1=CC(C)=CC=C1)=O