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4'-Hydroxy-5-methoxyflavone, chlorodifluoroacetate

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4'-Hydroxy-5-methoxyflavone, chlorodifluoroacetate
SpectraBase Compound ID 7cg9wNK7rQ9
InChI InChI=1S/C18H11ClF2O5/c1-24-13-3-2-4-14-16(13)12(22)9-15(26-14)10-5-7-11(8-6-10)25-17(23)18(19,20)21/h2-9H,1H3
InChIKey VKEQFDRVNVHZNO-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 KS69i1BfAD4
Name 4'-Hydroxy-5-methoxyflavone, chlorodifluoroacetate
Comments Computed using HOSE algorithm
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Exact Mass 380.026307475 u
Formula C18H11ClF2O5
InChI InChI=1S/C18H11ClF2O5/c1-24-13-3-2-4-14-16(13)12(22)9-15(26-14)10-5-7-11(8-6-10)25-17(23)18(19,20)21/h2-9H,1H3
InChIKey VKEQFDRVNVHZNO-UHFFFAOYSA-N
Molecular Weight 380.731 g/mol
SMILES C1=C(C=CC(=C1)OC(C(F)(F)Cl)=O)C1=CC(C2=C(C=CC=C2O1)OC)=O