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3-(2-chloro-6-fluorophenyl)-5-methyl-N-(5-phenyl-1,3,4-thiadiazol-2-yl)-4-isoxazolecarboxamide

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3-(2-chloro-6-fluorophenyl)-5-methyl-N-(5-phenyl-1,3,4-thiadiazol-2-yl)-4-isoxazolecarboxamide
SpectraBase Compound ID ICoE2DrkyW0
InChI InChI=1S/C19H12ClFN4O2S/c1-10-14(16(25-27-10)15-12(20)8-5-9-13(15)21)17(26)22-19-24-23-18(28-19)11-6-3-2-4-7-11/h2-9H,1H3,(H,22,24,26)
InChIKey TWKAOPADBDMWOZ-UHFFFAOYSA-N
Mol Weight 414.84 g/mol
Molecular Formula C19H12ClFN4O2S
Exact Mass 414.035353 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID BASdfeRJAqf
Name 3-(2-Chloro-6-fluorophenyl)-5-methyl-N-(5-phenyl-1,3,4-thiadiazol-2-yl)-4-isoxazolecarboxamide
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 414.035352677 u
Formula C19H12ClFN4O2S
InChI InChI=1S/C19H12ClFN4O2S/c1-10-14(16(25-27-10)15-12(20)8-5-9-13(15)21)17(26)22-19-24-23-18(28-19)11-6-3-2-4-7-11/h2-9H,1H3,(H,22,24,26)
InChIKey TWKAOPADBDMWOZ-UHFFFAOYSA-N
Molecular Weight 414.842 g/mol
SMILES N(C=1SC(=NN1)C1=CC=CC=C1)C(C=1C(=NOC1C)C1=C(Cl)C=CC=C1F)=O