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propanoic acid, 2,2-dimethyl-, (2Z)-2-[(3-fluorophenyl)methylene]-2,3-dihydro-3-oxobenzofuranyl ester
SpectraBase Compound ID Gtkb2VS3sFJ
InChI InChI=1S/C20H17FO4/c1-20(2,3)19(23)24-14-7-8-15-16(11-14)25-17(18(15)22)10-12-5-4-6-13(21)9-12/h4-11H,1-3H3/b17-10-
InChIKey GNQBWRXKHWFFLE-YVLHZVERSA-N
Mol Weight 340.35 g/mol
Molecular Formula C20H17FO4
Exact Mass 340.111087 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID LpwAXUwl3kQ
Name Propanoic acid, 2,2-dimethyl-, (2Z)-2-[(3-fluorophenyl)methylene]-2,3-dihydro-3-oxobenzofuranyl ester
Comments Computed using HOSE algorithm
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Exact Mass 340.111087186 u
Formula C20H17FO4
InChI InChI=1S/C20H17FO4/c1-20(2,3)19(23)24-14-7-8-15-16(11-14)25-17(18(15)22)10-12-5-4-6-13(21)9-12/h4-11H,1-3H3/b17-10-
InChIKey GNQBWRXKHWFFLE-YVLHZVERSA-N
Molecular Weight 340.350 g/mol
SMILES C1(\C(OC2=CC(=CC=C12)OC(C(C)(C)C)=O)=C\C1=CC(F)=CC=C1)=O