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methyl 4-((E)-{[4-(4-fluoroanilino)-4-oxobutanoyl]hydrazono}methyl)benzoate
SpectraBase Compound ID 44o7k4WhHpt
InChI InChI=1S/C19H18FN3O4/c1-27-19(26)14-4-2-13(3-5-14)12-21-23-18(25)11-10-17(24)22-16-8-6-15(20)7-9-16/h2-9,12H,10-11H2,1H3,(H,22,24)(H,23,25)/b21-12+
InChIKey RQKLMZPBDCDGAH-CIAFOILYSA-N
Mol Weight 371.37 g/mol
Molecular Formula C19H18FN3O4
Exact Mass 371.128134 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID QGuDjIYX5D
Name Methyl 4-((E)-{[4-(4-fluoroanilino)-4-oxobutanoyl]hydrazono}methyl)benzoate
Comments Computed using HOSE algorithm
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Exact Mass 371.128134231 u
Formula C19H18FN3O4
InChI InChI=1S/C19H18FN3O4/c1-27-19(26)14-4-2-13(3-5-14)12-21-23-18(25)11-10-17(24)22-16-8-6-15(20)7-9-16/h2-9,12H,10-11H2,1H3,(H,22,24)(H,23,25)/b21-12+
InChIKey RQKLMZPBDCDGAH-CIAFOILYSA-N
Molecular Weight 371.368 g/mol
SMILES N(C(CCC(NC=1C=CC(=CC1)F)=O)=O)\N=C\C1=CC=C(C(=O)OC)C=C1