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4'-Hydroxy-3'-methoxyflavone, chlorodifluoroacetate

View entire compound with spectra: 1 NMR

4'-Hydroxy-3'-methoxyflavone, chlorodifluoroacetate
SpectraBase Compound ID LSg3WBHBUc3
InChI InChI=1S/C18H11ClF2O5/c1-24-16-8-10(6-7-14(16)26-17(23)18(19,20)21)15-9-12(22)11-4-2-3-5-13(11)25-15/h2-9H,1H3
InChIKey DGDWCUDFSWAEBP-UHFFFAOYSA-N
Mol Weight 380.73 g/mol
Molecular Formula C18H11ClF2O5
Exact Mass 380.026307 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID KfhGVC1dJhJ
Name 4'-Hydroxy-3'-methoxyflavone, chlorodifluoroacetate
Comments Computed using HOSE algorithm
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Exact Mass 380.026307475 u
Formula C18H11ClF2O5
InChI InChI=1S/C18H11ClF2O5/c1-24-16-8-10(6-7-14(16)26-17(23)18(19,20)21)15-9-12(22)11-4-2-3-5-13(11)25-15/h2-9H,1H3
InChIKey DGDWCUDFSWAEBP-UHFFFAOYSA-N
Molecular Weight 380.731 g/mol
SMILES C1=C(C=CC(=C1OC)OC(C(F)(F)Cl)=O)C1=CC(C2=CC=CC=C2O1)=O