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2H-1-benzopyran-2-one, 7-[2-(4-fluorophenyl)-2-oxoethoxy]-8-methyl-4-propyl-
SpectraBase Compound ID DdCPyFa53WQ
InChI InChI=1S/C21H19FO4/c1-3-4-15-11-20(24)26-21-13(2)19(10-9-17(15)21)25-12-18(23)14-5-7-16(22)8-6-14/h5-11H,3-4,12H2,1-2H3
InChIKey ISXKHGBECHPBAC-UHFFFAOYSA-N
Mol Weight 354.38 g/mol
Molecular Formula C21H19FO4
Exact Mass 354.126737 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID JuPJnKNF6o3
Name 2H-1-Benzopyran-2-one, 7-[2-(4-fluorophenyl)-2-oxoethoxy]-8-methyl-4-propyl-
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 354.126737251 u
Formula C21H19FO4
InChI InChI=1S/C21H19FO4/c1-3-4-15-11-20(24)26-21-13(2)19(10-9-17(15)21)25-12-18(23)14-5-7-16(22)8-6-14/h5-11H,3-4,12H2,1-2H3
InChIKey ISXKHGBECHPBAC-UHFFFAOYSA-N
Molecular Weight 354.377 g/mol
SMILES C=12C(C(CCC)=CC(O2)=O)=CC=C(C1C)OCC(C1=CC=C(C=C1)F)=O