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3-Hydroxy-7-methoxyflavone, chlorodifluoroacetate

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3-Hydroxy-7-methoxyflavone, chlorodifluoroacetate
SpectraBase Compound ID 2R9RuNV6USL
InChI InChI=1S/C18H11ClF2O5/c1-24-11-7-8-12-13(9-11)25-15(10-5-3-2-4-6-10)16(14(12)22)26-17(23)18(19,20)21/h2-9H,1H3
InChIKey UHPDZYMMBUOJAW-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 29gG2hy8arX
Name 3-Hydroxy-7-methoxyflavone, chlorodifluoroacetate
Comments Computed using HOSE algorithm
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Exact Mass 380.026307475 u
Formula C18H11ClF2O5
InChI InChI=1S/C18H11ClF2O5/c1-24-11-7-8-12-13(9-11)25-15(10-5-3-2-4-6-10)16(14(12)22)26-17(23)18(19,20)21/h2-9H,1H3
InChIKey UHPDZYMMBUOJAW-UHFFFAOYSA-N
Molecular Weight 380.731 g/mol
SMILES C1=C(C=CC=C1)C1=C(OC(C(F)(F)Cl)=O)C(C2=CC=C(C=C2O1)OC)=O