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6-Hydroxy-7-methoxy-4-phenylcoumarin, trifluoroacetate

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6-Hydroxy-7-methoxy-4-phenylcoumarin, trifluoroacetate
SpectraBase Compound ID BgNHKvfuqYY
InChI InChI=1S/C18H11F3O5/c1-24-14-9-13-12(7-15(14)26-17(23)18(19,20)21)11(8-16(22)25-13)10-5-3-2-4-6-10/h2-9H,1H3
InChIKey OFURPAJHFJHFJA-UHFFFAOYSA-N
Mol Weight 364.28 g/mol
Molecular Formula C18H11F3O5
Exact Mass 364.055858 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 7WjngEGxWV4
Name 6-Hydroxy-7-methoxy-4-phenylcoumarin, trifluoroacetate
Comments Computed using HOSE algorithm
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Exact Mass 364.055857938 u
Formula C18H11F3O5
InChI InChI=1S/C18H11F3O5/c1-24-14-9-13-12(7-15(14)26-17(23)18(19,20)21)11(8-16(22)25-13)10-5-3-2-4-6-10/h2-9H,1H3
InChIKey OFURPAJHFJHFJA-UHFFFAOYSA-N
Molecular Weight 364.276 g/mol
SMILES C1(=CC(=O)OC2=C1C=C(OC(C(F)(F)F)=O)C(=C2)OC)C1=CC=CC=C1