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4-quinolinecarboxamide, N-(4-bromophenyl)-2-(2-thienyl)-
SpectraBase Compound ID EG0axANJtHO
InChI InChI=1S/C20H13BrN2OS/c21-13-7-9-14(10-8-13)22-20(24)16-12-18(19-6-3-11-25-19)23-17-5-2-1-4-15(16)17/h1-12H,(H,22,24)
InChIKey DGRPCUIMPDWNJE-UHFFFAOYSA-N
Mol Weight 409.3 g/mol
Molecular Formula C20H13BrN2OS
Exact Mass 407.993197 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 8PwbyOlH7vy
Name 4-Quinolinecarboxamide, N-(4-bromophenyl)-2-(2-thienyl)-
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 407.993197220 u
Formula C20H13BrN2OS
InChI InChI=1S/C20H13BrN2OS/c21-13-7-9-14(10-8-13)22-20(24)16-12-18(19-6-3-11-25-19)23-17-5-2-1-4-15(16)17/h1-12H,(H,22,24)
InChIKey DGRPCUIMPDWNJE-UHFFFAOYSA-N
Molecular Weight 409.301 g/mol
SMILES N(C(C1=CC(C=2SC=CC2)=NC=2C1=CC=CC2)=O)C1=CC=C(C=C1)Br