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N-(4-sec-butylphenyl)-2-(2,4-dimethoxyphenyl)-4-quinolinecarboxamide
SpectraBase Compound ID 3ROfLLOeIOS
InChI InChI=1S/C28H28N2O3/c1-5-18(2)19-10-12-20(13-11-19)29-28(31)24-17-26(30-25-9-7-6-8-22(24)25)23-15-14-21(32-3)16-27(23)33-4/h6-18H,5H2,1-4H3,(H,29,31)
InChIKey DOUSPLVGUVFACA-UHFFFAOYSA-N
Mol Weight 440.54 g/mol
Molecular Formula C28H28N2O3
Exact Mass 440.209993 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID DR3pLJYboSH
Name N-(4-sec-Butylphenyl)-2-(2,4-dimethoxyphenyl)-4-quinolinecarboxamide
Comments Computed using HOSE algorithm
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Exact Mass 440.209992767 u
Formula C28H28N2O3
InChI InChI=1S/C28H28N2O3/c1-5-18(2)19-10-12-20(13-11-19)29-28(31)24-17-26(30-25-9-7-6-8-22(24)25)23-15-14-21(32-3)16-27(23)33-4/h6-18H,5H2,1-4H3,(H,29,31)
InChIKey DOUSPLVGUVFACA-UHFFFAOYSA-N
Molecular Weight 440.543 g/mol
SMILES N(C(C=1C=C(N=C2C=CC=CC12)C1=C(C=C(C=C1)OC)OC)=O)C1=CC=C(C=C1)C(CC)C