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4-Quinolinecarboxamide, N-(2,2-dimethyl-1,3-benzodioxol-5-yl)-2-phenyl-

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4-Quinolinecarboxamide, N-(2,2-dimethyl-1,3-benzodioxol-5-yl)-2-phenyl-
SpectraBase Compound ID J62zkUgFDMz
InChI InChI=1S/C25H20N2O3/c1-25(2)29-22-13-12-17(14-23(22)30-25)26-24(28)19-15-21(16-8-4-3-5-9-16)27-20-11-7-6-10-18(19)20/h3-15H,1-2H3,(H,26,28)
InChIKey VELZBXSAXBPWSB-UHFFFAOYSA-N
Mol Weight 396.45 g/mol
Molecular Formula C25H20N2O3
Exact Mass 396.147393 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Qdx72xFDZu
Name 4-Quinolinecarboxamide, N-(2,2-dimethyl-1,3-benzodioxol-5-yl)-2-phenyl-
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 396.147392509 u
Formula C25H20N2O3
InChI InChI=1S/C25H20N2O3/c1-25(2)29-22-13-12-17(14-23(22)30-25)26-24(28)19-15-21(16-8-4-3-5-9-16)27-20-11-7-6-10-18(19)20/h3-15H,1-2H3,(H,26,28)
InChIKey VELZBXSAXBPWSB-UHFFFAOYSA-N
Molecular Weight 396.446 g/mol
SMILES C=1(C(NC2=CC=3OC(C)(C)OC3C=C2)=O)C=C(C=2C=CC=CC2)N=C2C1C=CC=C2