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2-(1,3-benzodioxol-5-yl)-N-butyl-4-quinolinecarboxamide

View entire compound with spectra: 2 NMR

2-(1,3-benzodioxol-5-yl)-N-butyl-4-quinolinecarboxamide
SpectraBase Compound ID GdJBVZ9LIDd
InChI InChI=1S/C21H20N2O3/c1-2-3-10-22-21(24)16-12-18(23-17-7-5-4-6-15(16)17)14-8-9-19-20(11-14)26-13-25-19/h4-9,11-12H,2-3,10,13H2,1H3,(H,22,24)
InChIKey BAMXRWOQKSWNDY-UHFFFAOYSA-N
Mol Weight 348.4 g/mol
Molecular Formula C21H20N2O3
Exact Mass 348.147393 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Dqo0mgnyv6H
Name 2-(1,3-Benzodioxol-5-yl)-N-butyl-4-quinolinecarboxamide
Comments Computed using HOSE algorithm
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Exact Mass 348.147392509 u
Formula C21H20N2O3
InChI InChI=1S/C21H20N2O3/c1-2-3-10-22-21(24)16-12-18(23-17-7-5-4-6-15(16)17)14-8-9-19-20(11-14)26-13-25-19/h4-9,11-12H,2-3,10,13H2,1H3,(H,22,24)
InChIKey BAMXRWOQKSWNDY-UHFFFAOYSA-N
Molecular Weight 348.402 g/mol
SMILES N(C(C1=CC(C=2C=C3OCOC3=CC2)=NC2=C1C=CC=C2)=O)CCCC