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N-(4-chloro-2-fluorophenyl)-2-(2-thienyl)-4-quinolinecarboxamide

View entire compound with spectra: 2 NMR

N-(4-chloro-2-fluorophenyl)-2-(2-thienyl)-4-quinolinecarboxamide
SpectraBase Compound ID GLiTOXjdYWC
InChI InChI=1S/C20H12ClFN2OS/c21-12-7-8-17(15(22)10-12)24-20(25)14-11-18(19-6-3-9-26-19)23-16-5-2-1-4-13(14)16/h1-11H,(H,24,25)
InChIKey BOFWNKINBMWOEE-UHFFFAOYSA-N
Mol Weight 382.84 g/mol
Molecular Formula C20H12ClFN2OS
Exact Mass 382.03429 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Jvir6A4AN1n
Name N-(4-Chloro-2-fluorophenyl)-2-(2-thienyl)-4-quinolinecarboxamide
Comments Computed using HOSE algorithm
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Exact Mass 382.034290050 u
Formula C20H12ClFN2OS
InChI InChI=1S/C20H12ClFN2OS/c21-12-7-8-17(15(22)10-12)24-20(25)14-11-18(19-6-3-9-26-19)23-16-5-2-1-4-13(14)16/h1-11H,(H,24,25)
InChIKey BOFWNKINBMWOEE-UHFFFAOYSA-N
Molecular Weight 382.840 g/mol
SMILES N(C(C1=CC(C=2SC=CC2)=NC2=C1C=CC=C2)=O)C=1C(=CC(=CC1)Cl)F