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1,4-Dihydro-1-ethyl-4-oxo-6-(trifluoromethyl)-3-quinolinecarboxylic acid, (o-chlorobenzylidene)hydrazide
SpectraBase Compound ID 1q5CSqrAnMD
InChI InChI=1S/C20H15ClF3N3O2/c1-2-27-11-15(19(29)26-25-10-12-5-3-4-6-16(12)21)18(28)14-9-13(20(22,23)24)7-8-17(14)27/h3-11H,2H2,1H3,(H,26,29)/b25-10+
InChIKey GXFMUPYZXSLXQX-KIBLKLHPSA-N
Mol Weight 421.81 g/mol
Molecular Formula C20H15ClF3N3O2
Exact Mass 421.080489 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID FX1yuMDKVtR
Name 1,4-Dihydro-1-ethyl-4-oxo-6-(trifluoromethyl)-3-quinolinecarboxylic acid, (o-chlorobenzylidene)hydrazide
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 421.080488922 u
Formula C20H15ClF3N3O2
InChI InChI=1S/C20H15ClF3N3O2/c1-2-27-11-15(19(29)26-25-10-12-5-3-4-6-16(12)21)18(28)14-9-13(20(22,23)24)7-8-17(14)27/h3-11H,2H2,1H3,(H,26,29)/b25-10+
InChIKey GXFMUPYZXSLXQX-KIBLKLHPSA-N
Molecular Weight 421.807 g/mol
SMILES N(C(C1=CN(C=2C=CC(=CC2C1=O)C(F)(F)F)CC)=O)\N=C\C1=C(C=CC=C1)Cl