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acetamide, 2-[[3-(3,4-dimethoxyphenyl)-4-oxo-4H-1-benzopyran-7-yl]oxy]-N-(3-fluorophenyl)-
SpectraBase Compound ID KxSGHXwZBZi
InChI InChI=1S/C25H20FNO6/c1-30-21-9-6-15(10-23(21)31-2)20-13-33-22-12-18(7-8-19(22)25(20)29)32-14-24(28)27-17-5-3-4-16(26)11-17/h3-13H,14H2,1-2H3,(H,27,28)
InChIKey QWYKDYMFYVEZKU-UHFFFAOYSA-N
Mol Weight 449.43 g/mol
Molecular Formula C25H20FNO6
Exact Mass 449.127466 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID E0Yw9uzcDhV
Name Acetamide, 2-[[3-(3,4-dimethoxyphenyl)-4-oxo-4H-1-benzopyran-7-yl]oxy]-N-(3-fluorophenyl)-
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 449.127465525 u
Formula C25H20FNO6
InChI InChI=1S/C25H20FNO6/c1-30-21-9-6-15(10-23(21)31-2)20-13-33-22-12-18(7-8-19(22)25(20)29)32-14-24(28)27-17-5-3-4-16(26)11-17/h3-13H,14H2,1-2H3,(H,27,28)
InChIKey QWYKDYMFYVEZKU-UHFFFAOYSA-N
Molecular Weight 449.434 g/mol
SMILES N(C(COC=1C=C2OC=C(C(C2=CC1)=O)C=1C=C(OC)C(=CC1)OC)=O)C=1C=C(F)C=CC1