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2,6-DIMETHOXY-alpha,alpha,alpha,alpha',alpha',alpha'-HEXAFLUORO-3',5'-BENZOXYLIDIDE
SpectraBase Compound ID 4CJS04LHqLg
InChI InChI=1S/C17H13F6NO3/c1-26-12-4-3-5-13(27-2)14(12)15(25)24-11-7-9(16(18,19)20)6-10(8-11)17(21,22)23/h3-8H,1-2H3,(H,24,25)
InChIKey LWZHYKVXHOMRTA-UHFFFAOYSA-N
Mol Weight 393.29 g/mol
Molecular Formula C17H13F6NO3
Exact Mass 393.079962 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID JzyZmAFZvgb
Name 2,6-Dimethoxy-A,A,A,A',A',A'-hexafluoro-3',5'-benzoxylidide
Comments Computed using HOSE algorithm
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Exact Mass 393.079962258 u
Formula C17H13F6NO3
InChI InChI=1S/C17H13F6NO3/c1-26-12-4-3-5-13(27-2)14(12)15(25)24-11-7-9(16(18,19)20)6-10(8-11)17(21,22)23/h3-8H,1-2H3,(H,24,25)
InChIKey LWZHYKVXHOMRTA-UHFFFAOYSA-N
Molecular Weight 393.285 g/mol
SMILES N(C(C=1C(=CC=CC1OC)OC)=O)C=1C=C(C=C(C1)C(F)(F)F)C(F)(F)F