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acetic acid, [4-[(Z)-(6-methoxy-3-oxo-2(3H)-benzofuranylidene)methyl]phenoxy]-, ethyl ester
SpectraBase Compound ID 7QblZ3ooEhw
InChI InChI=1S/C20H18O6/c1-3-24-19(21)12-25-14-6-4-13(5-7-14)10-18-20(22)16-9-8-15(23-2)11-17(16)26-18/h4-11H,3,12H2,1-2H3/b18-10-
InChIKey ZALHQBDWDQVGFS-ZDLGFXPLSA-N
Mol Weight 354.36 g/mol
Molecular Formula C20H18O6
Exact Mass 354.110338 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 8FCSWM09NE0
Name Acetic acid, [4-[(Z)-(6-methoxy-3-oxo-2(3H)-benzofuranylidene)methyl]phenoxy]-, ethyl ester
Comments Computed using HOSE algorithm
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Exact Mass 354.110338294 u
Formula C20H18O6
InChI InChI=1S/C20H18O6/c1-3-24-19(21)12-25-14-6-4-13(5-7-14)10-18-20(22)16-9-8-15(23-2)11-17(16)26-18/h4-11H,3,12H2,1-2H3/b18-10-
InChIKey ZALHQBDWDQVGFS-ZDLGFXPLSA-N
Molecular Weight 354.358 g/mol
SMILES C1(\C(OC=2C=C(C=CC12)OC)=C\C=1C=CC(OCC(=O)OCC)=CC1)=O