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N-benzhydryl-2-(5-chloro-2-thienyl)-4-quinolinecarboxamide

View entire compound with spectra: 2 NMR

N-benzhydryl-2-(5-chloro-2-thienyl)-4-quinolinecarboxamide
SpectraBase Compound ID 7tue8oJie49
InChI InChI=1S/C27H19ClN2OS/c28-25-16-15-24(32-25)23-17-21(20-13-7-8-14-22(20)29-23)27(31)30-26(18-9-3-1-4-10-18)19-11-5-2-6-12-19/h1-17,26H,(H,30,31)
InChIKey KEQZGRVTBGNUMH-UHFFFAOYSA-N
Mol Weight 454.98 g/mol
Molecular Formula C27H19ClN2OS
Exact Mass 454.090662 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID BB2JQMwEXHf
Name N-Benzhydryl-2-(5-chloro-2-thienyl)-4-quinolinecarboxamide
Comments Computed using HOSE algorithm
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Exact Mass 454.090662113 u
Formula C27H19ClN2OS
InChI InChI=1S/C27H19ClN2OS/c28-25-16-15-24(32-25)23-17-21(20-13-7-8-14-22(20)29-23)27(31)30-26(18-9-3-1-4-10-18)19-11-5-2-6-12-19/h1-17,26H,(H,30,31)
InChIKey KEQZGRVTBGNUMH-UHFFFAOYSA-N
Molecular Weight 454.975 g/mol
SMILES N(C(C1=CC(C=2SC(Cl)=CC2)=NC2=C1C=CC=C2)=O)C(C1=CC=CC=C1)C1=CC=CC=C1