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4',6'-Dimethoxy-2'-hydroxy-3-nitrochalcone, trifluoroacetate
SpectraBase Compound ID 8nyUL2jZGIg
InChI InChI=1S/C19H14F3NO7/c1-28-13-9-15(29-2)17(16(10-13)30-18(25)19(20,21)22)14(24)7-6-11-4-3-5-12(8-11)23(26)27/h3-10H,1-2H3/b7-6+
InChIKey QNCQPRXXYRNTEW-VOTSOKGWSA-N
Mol Weight 425.32 g/mol
Molecular Formula C19H14F3NO7
Exact Mass 425.072236 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 3yRoWh3CzBS
Name 4',6'-Dimethoxy-2'-hydroxy-3-nitrochalcone, trifluoroacetate
Comments Computed using HOSE algorithm
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Exact Mass 425.072236277 u
Formula C19H14F3NO7
InChI InChI=1S/C19H14F3NO7/c1-28-13-9-15(29-2)17(16(10-13)30-18(25)19(20,21)22)14(24)7-6-11-4-3-5-12(8-11)23(26)27/h3-10H,1-2H3/b7-6+
InChIKey QNCQPRXXYRNTEW-VOTSOKGWSA-N
Molecular Weight 425.316 g/mol
SMILES C1(=C(C=C(C=C1OC(C(F)(F)F)=O)OC)OC)C(\C=C\C1=CC=CC(=C1)N(=O)=O)=O