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acetamide, N-(3-chloro-4-fluorophenyl)-2-[[3-(3,4-dimethoxyphenyl)-4-oxo-4H-1-benzopyran-7-yl]oxy]-
SpectraBase Compound ID 1ehrS6nARF0
InChI InChI=1S/C25H19ClFNO6/c1-31-21-8-3-14(9-23(21)32-2)18-12-34-22-11-16(5-6-17(22)25(18)30)33-13-24(29)28-15-4-7-20(27)19(26)10-15/h3-12H,13H2,1-2H3,(H,28,29)
InChIKey VLSMXOBGITUSEF-UHFFFAOYSA-N
Mol Weight 483.88 g/mol
Molecular Formula C25H19ClFNO6
Exact Mass 483.088493 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID LBfpBcfXi6Y
Name Acetamide, N-(3-chloro-4-fluorophenyl)-2-[[3-(3,4-dimethoxyphenyl)-4-oxo-4H-1-benzopyran-7-yl]oxy]-
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 483.088493193 u
Formula C25H19ClFNO6
InChI InChI=1S/C25H19ClFNO6/c1-31-21-8-3-14(9-23(21)32-2)18-12-34-22-11-16(5-6-17(22)25(18)30)33-13-24(29)28-15-4-7-20(27)19(26)10-15/h3-12H,13H2,1-2H3,(H,28,29)
InChIKey VLSMXOBGITUSEF-UHFFFAOYSA-N
Molecular Weight 483.879 g/mol
SMILES N(C(COC=1C=C2OC=C(C(C2=CC1)=O)C=1C=C(OC)C(=CC1)OC)=O)C=1C=C(Cl)C(=CC1)F