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N-(4-fluorophenyl)-4,6-dimethyl-3-(p-toluoylamino)thieno[2,3-b]pyridine-2-carboxamide

View entire compound with spectra: 1 NMR, and 1 MS (GC)

N-(4-fluorophenyl)-4,6-dimethyl-3-(p-toluoylamino)thieno[2,3-b]pyridine-2-carboxamide
SpectraBase Compound ID Jml38A4flY9
InChI InChI=1S/C24H20FN3O2S/c1-13-4-6-16(7-5-13)22(29)28-20-19-14(2)12-15(3)26-24(19)31-21(20)23(30)27-18-10-8-17(25)9-11-18/h4-12H,1-3H3,(H,27,30)(H,28,29)
InChIKey HYZRBVMKUBANJN-UHFFFAOYSA-N
Mol Weight 433.5 g/mol
Molecular Formula C24H20FN3O2S
Exact Mass 433.126026 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID F65FhcoSPId
Name N-(4-Fluorophenyl)-4,6-dimethyl-3-(p-toluoylamino)thieno[2,3-B]pyridine-2-carboxamide
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 433.126026231 u
Formula C24H20FN3O2S
InChI InChI=1S/C24H20FN3O2S/c1-13-4-6-16(7-5-13)22(29)28-20-19-14(2)12-15(3)26-24(19)31-21(20)23(30)27-18-10-8-17(25)9-11-18/h4-12H,1-3H3,(H,27,30)(H,28,29)
InChIKey HYZRBVMKUBANJN-UHFFFAOYSA-N
Molecular Weight 433.501 g/mol
SMILES C1(=C(C=2C(=CC(=NC2S1)C)C)NC(C1=CC=C(C=C1)C)=O)C(NC=1C=CC(F)=CC1)=O