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N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-2-(3-methylphenyl)-4-quinolinecarboxamide
SpectraBase Compound ID KePE8qt3GAR
InChI InChI=1S/C26H18ClN3OS/c1-16-5-4-6-18(13-16)23-14-21(20-7-2-3-8-22(20)28-23)25(31)30-26-29-24(15-32-26)17-9-11-19(27)12-10-17/h2-15H,1H3,(H,29,30,31)
InChIKey MAOYGCPQVUUBII-UHFFFAOYSA-N
Mol Weight 455.96 g/mol
Molecular Formula C26H18ClN3OS
Exact Mass 455.085911 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID AGhh28G54IT
Name N-[4-(4-Chlorophenyl)-1,3-thiazol-2-yl]-2-(3-methylphenyl)-4-quinolinecarboxamide
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 455.085911085 u
Formula C26H18ClN3OS
InChI InChI=1S/C26H18ClN3OS/c1-16-5-4-6-18(13-16)23-14-21(20-7-2-3-8-22(20)28-23)25(31)30-26-29-24(15-32-26)17-9-11-19(27)12-10-17/h2-15H,1H3,(H,29,30,31)
InChIKey MAOYGCPQVUUBII-UHFFFAOYSA-N
Molecular Weight 455.963 g/mol
SMILES N(C(C=1C=C(C2=CC(C)=CC=C2)N=C2C1C=CC=C2)=O)C1=NC(C=2C=CC(Cl)=CC2)=CS1