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2-[(8-methyl-2-oxo-4-phenyl-2H-chromen-7-yl)oxy]propanoic acid
SpectraBase Compound ID 5eIFFXao3Cz
InChI InChI=1S/C19H16O5/c1-11-16(23-12(2)19(21)22)9-8-14-15(10-17(20)24-18(11)14)13-6-4-3-5-7-13/h3-10,12H,1-2H3,(H,21,22)
InChIKey UJGVKTUGTHSXJA-UHFFFAOYSA-N
Mol Weight 324.33 g/mol
Molecular Formula C19H16O5
Exact Mass 324.099774 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID FliAtDBnhK3
Name 2-[(8-Methyl-2-oxo-4-phenyl-2H-chromen-7-yl)oxy]propanoic acid
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 324.099773610 u
Formula C19H16O5
InChI InChI=1S/C19H16O5/c1-11-16(23-12(2)19(21)22)9-8-14-15(10-17(20)24-18(11)14)13-6-4-3-5-7-13/h3-10,12H,1-2H3,(H,21,22)
InChIKey UJGVKTUGTHSXJA-UHFFFAOYSA-N
Molecular Weight 324.332 g/mol
SMILES OC(C(OC=1C(=C2C(C(C3=CC=CC=C3)=CC(O2)=O)=CC1)C)C)=O