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Benzoic acid, 4-fluoro-, 2-(4-methoxybenzylidene)-3-oxo-2,3-dihydrobenzofuran-6-yl ester
SpectraBase Compound ID ID9BziV2bBY
InChI InChI=1S/C23H15FO5/c1-27-17-8-2-14(3-9-17)12-21-22(25)19-11-10-18(13-20(19)29-21)28-23(26)15-4-6-16(24)7-5-15/h2-13H,1H3/b21-12-
InChIKey WHLACBMMGQXNES-MTJSOVHGSA-N
Mol Weight 390.37 g/mol
Molecular Formula C23H15FO5
Exact Mass 390.090352 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Ka1yvWZgt5t
Name Benzoic acid, 4-fluoro-, 2-(4-methoxybenzylidene)-3-oxo-2,3-dihydrobenzofuran-6-yl ester
Comments Computed using HOSE algorithm
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Exact Mass 390.090351741 u
Formula C23H15FO5
InChI InChI=1S/C23H15FO5/c1-27-17-8-2-14(3-9-17)12-21-22(25)19-11-10-18(13-20(19)29-21)28-23(26)15-4-6-16(24)7-5-15/h2-13H,1H3/b21-12-
InChIKey WHLACBMMGQXNES-MTJSOVHGSA-N
Molecular Weight 390.366 g/mol
SMILES C1(\C(OC2=CC(=CC=C12)OC(C1=CC=C(C=C1)F)=O)=C\C1=CC=C(OC)C=C1)=O