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4',6'-Dimethoxy-2'-hydroxy-3-nitrochalcone, pentafluoropropionate

View entire compound with spectra: 1 NMR

4',6'-Dimethoxy-2'-hydroxy-3-nitrochalcone, pentafluoropropionate
SpectraBase Compound ID LEWIJxHCAb6
InChI InChI=1S/C20H14F5NO7/c1-31-13-9-15(32-2)17(16(10-13)33-18(28)19(21,22)20(23,24)25)14(27)7-6-11-4-3-5-12(8-11)26(29)30/h3-10H,1-2H3/b7-6+
InChIKey WAHKEKSLBFBKLV-VOTSOKGWSA-N
Mol Weight 475.32 g/mol
Molecular Formula C20H14F5NO7
Exact Mass 475.069043 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID LIs3lO4NKKK
Name 4',6'-Dimethoxy-2'-hydroxy-3-nitrochalcone, pentafluoropropionate
Comments Computed using HOSE algorithm
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Exact Mass 475.069042603 u
Formula C20H14F5NO7
InChI InChI=1S/C20H14F5NO7/c1-31-13-9-15(32-2)17(16(10-13)33-18(28)19(21,22)20(23,24)25)14(27)7-6-11-4-3-5-12(8-11)26(29)30/h3-10H,1-2H3/b7-6+
InChIKey WAHKEKSLBFBKLV-VOTSOKGWSA-N
Molecular Weight 475.324 g/mol
SMILES C1(=C(C=C(C=C1OC(C(C(F)(F)F)(F)F)=O)OC)OC)C(\C=C\C1=CC=CC(=C1)N(=O)=O)=O