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ethyl [2-methoxy-4-((E)-{[3-(trifluoromethyl)phenyl]hydrazono}methyl)phenoxy]acetate
SpectraBase Compound ID BHRcAwncbxx
InChI InChI=1S/C19H19F3N2O4/c1-3-27-18(25)12-28-16-8-7-13(9-17(16)26-2)11-23-24-15-6-4-5-14(10-15)19(20,21)22/h4-11,24H,3,12H2,1-2H3/b23-11+
InChIKey ZUSCAWAXTIEFON-FOKLQQMPSA-N
Mol Weight 396.37 g/mol
Molecular Formula C19H19F3N2O4
Exact Mass 396.129692 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 3n1790bxrAq
Name Ethyl [2-methoxy-4-((E)-{[3-(trifluoromethyl)phenyl]hydrazono}methyl)phenoxy]acetate
Comments Computed using HOSE algorithm
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Exact Mass 396.129691585 u
Formula C19H19F3N2O4
InChI InChI=1S/C19H19F3N2O4/c1-3-27-18(25)12-28-16-8-7-13(9-17(16)26-2)11-23-24-15-6-4-5-14(10-15)19(20,21)22/h4-11,24H,3,12H2,1-2H3/b23-11+
InChIKey ZUSCAWAXTIEFON-FOKLQQMPSA-N
Molecular Weight 396.366 g/mol
SMILES N(\N=C\C=1C=C(OC)C(=CC1)OCC(=O)OCC)C=1C=C(C(F)(F)F)C=CC1