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benzoic acid, 4-[(E)-[[2-[(3-fluorophenyl)amino]-1,2-dioxoethyl]hydrazono]methyl]-, methyl ester
SpectraBase Compound ID GdKfWZNqbUR
InChI InChI=1S/C17H14FN3O4/c1-25-17(24)12-7-5-11(6-8-12)10-19-21-16(23)15(22)20-14-4-2-3-13(18)9-14/h2-10H,1H3,(H,20,22)(H,21,23)/b19-10+
InChIKey CLYWRRZTYKWJEC-VXLYETTFSA-N
Mol Weight 343.31 g/mol
Molecular Formula C17H14FN3O4
Exact Mass 343.096834 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID D8p9eKdOuEL
Name Benzoic acid, 4-[(E)-[[2-[(3-fluorophenyl)amino]-1,2-dioxoethyl]hydrazono]methyl]-, methyl ester
Comments Computed using HOSE algorithm
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Exact Mass 343.096834102 u
Formula C17H14FN3O4
InChI InChI=1S/C17H14FN3O4/c1-25-17(24)12-7-5-11(6-8-12)10-19-21-16(23)15(22)20-14-4-2-3-13(18)9-14/h2-10H,1H3,(H,20,22)(H,21,23)/b19-10+
InChIKey CLYWRRZTYKWJEC-VXLYETTFSA-N
Molecular Weight 343.314 g/mol
SMILES N(C(C(N\N=C\C1=CC=C(C(=O)OC)C=C1)=O)=O)C1=CC(F)=CC=C1