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

View entire compound with spectra: 1 NMR

4'-Hydroxy-.alpha.-naphthoflavone, chlorodifluoroacetate
SpectraBase Compound ID 1t2g9fYzelN
InChI InChI=1S/C21H11ClF2O4/c22-21(23,24)20(26)27-14-8-5-13(6-9-14)18-11-17(25)16-10-7-12-3-1-2-4-15(12)19(16)28-18/h1-11H
InChIKey BZEHZFKBIPYPGG-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 Wy89uvafmC
Name 4'-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)27-14-8-5-13(6-9-14)18-11-17(25)16-10-7-12-3-1-2-4-15(12)19(16)28-18/h1-11H
InChIKey BZEHZFKBIPYPGG-UHFFFAOYSA-N
Molecular Weight 400.765 g/mol
SMILES C1=C(C=CC(=C1)OC(C(F)(F)Cl)=O)C1=CC(C2=C(C3=C(C=CC=C3)C=C2)O1)=O