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3'-Hydroxy-.alpha.-naphthoflavone, chlorodifluoroacetate

View entire compound with spectra: 1 NMR

3'-Hydroxy-.alpha.-naphthoflavone, chlorodifluoroacetate
SpectraBase Compound ID C2GK8IsUt1S
InChI InChI=1S/C21H11ClF2O4/c22-21(23,24)20(26)27-14-6-3-5-13(10-14)18-11-17(25)16-9-8-12-4-1-2-7-15(12)19(16)28-18/h1-11H
InChIKey JFEAKZMKZDTPPV-UHFFFAOYSA-N
Mol Weight 400.76 g/mol
Molecular Formula C21H11ClF2O4
Exact Mass 400.031393 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID EuINRWy2BUA
Name 3'-Hydroxy-.alpha.-naphthoflavone, chlorodifluoroacetate
Comments Computed using HOSE algorithm
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Exact Mass 400.031392856 u
Formula C21H11ClF2O4
InChI InChI=1S/C21H11ClF2O4/c22-21(23,24)20(26)27-14-6-3-5-13(10-14)18-11-17(25)16-9-8-12-4-1-2-7-15(12)19(16)28-18/h1-11H
InChIKey JFEAKZMKZDTPPV-UHFFFAOYSA-N
Molecular Weight 400.765 g/mol
SMILES C1=C(C=CC=C1OC(C(F)(F)Cl)=O)C1=CC(C2=C(C3=C(C=CC=C3)C=C2)O1)=O