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4-quinolinecarboxamide, 2-(2-thienyl)-N-(3,4,5-trimethoxyphenyl)-
SpectraBase Compound ID 7MgcuXuXXYk
InChI InChI=1S/C23H20N2O4S/c1-27-19-11-14(12-20(28-2)22(19)29-3)24-23(26)16-13-18(21-9-6-10-30-21)25-17-8-5-4-7-15(16)17/h4-13H,1-3H3,(H,24,26)
InChIKey UNVHRBHNBMLSSI-UHFFFAOYSA-N
Mol Weight 420.48 g/mol
Molecular Formula C23H20N2O4S
Exact Mass 420.114378 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Eeb8JJwP04V
Name 4-Quinolinecarboxamide, 2-(2-thienyl)-N-(3,4,5-trimethoxyphenyl)-
Comments Computed using HOSE algorithm
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Exact Mass 420.114378302 u
Formula C23H20N2O4S
InChI InChI=1S/C23H20N2O4S/c1-27-19-11-14(12-20(28-2)22(19)29-3)24-23(26)16-13-18(21-9-6-10-30-21)25-17-8-5-4-7-15(16)17/h4-13H,1-3H3,(H,24,26)
InChIKey UNVHRBHNBMLSSI-UHFFFAOYSA-N
Molecular Weight 420.483 g/mol
SMILES N(C(C1=CC(C=2SC=CC2)=NC=2C1=CC=CC2)=O)C=1C=C(OC)C(=C(C1)OC)OC