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2'-Hydroxy-.beta.-naphthoflavone, chlorodifluoroacetate
SpectraBase Compound ID 5wae2gLc37Z
InChI InChI=1S/C21H11ClF2O4/c22-21(23,24)20(26)28-16-8-4-3-7-14(16)18-11-15(25)19-13-6-2-1-5-12(13)9-10-17(19)27-18/h1-11H
InChIKey UMHZLKYXLXXOEI-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 BK2l9ioAyJ7
Name 2'-Hydroxy-.beta.-naphthoflavone, chlorodifluoroacetate
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 400.031392856 u
Formula C21H11ClF2O4
InChI InChI=1S/C21H11ClF2O4/c22-21(23,24)20(26)28-16-8-4-3-7-14(16)18-11-15(25)19-13-6-2-1-5-12(13)9-10-17(19)27-18/h1-11H
InChIKey UMHZLKYXLXXOEI-UHFFFAOYSA-N
Molecular Weight 400.765 g/mol
SMILES C1(=C(C=CC=C1)C1=CC(C2=C(C=CC3=C2C=CC=C3)O1)=O)OC(C(F)(F)Cl)=O