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N-(4-butylphenyl)-2-(3,4-dimethylphenyl)-4-quinolinecarboxamide
SpectraBase Compound ID GR3zJPX16mc
InChI InChI=1S/C28H28N2O/c1-4-5-8-21-12-15-23(16-13-21)29-28(31)25-18-27(22-14-11-19(2)20(3)17-22)30-26-10-7-6-9-24(25)26/h6-7,9-18H,4-5,8H2,1-3H3,(H,29,31)
InChIKey VBUXQKSMJBPBMY-UHFFFAOYSA-N
Mol Weight 408.55 g/mol
Molecular Formula C28H28N2O
Exact Mass 408.220164 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID GPIKLj3GqtK
Name N-(4-Butylphenyl)-2-(3,4-dimethylphenyl)-4-quinolinecarboxamide
Comments Computed using HOSE algorithm
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Exact Mass 408.220163529 u
Formula C28H28N2O
InChI InChI=1S/C28H28N2O/c1-4-5-8-21-12-15-23(16-13-21)29-28(31)25-18-27(22-14-11-19(2)20(3)17-22)30-26-10-7-6-9-24(25)26/h6-7,9-18H,4-5,8H2,1-3H3,(H,29,31)
InChIKey VBUXQKSMJBPBMY-UHFFFAOYSA-N
Molecular Weight 408.545 g/mol
SMILES N(C(C=1C=C(C2=CC(C)=C(C=C2)C)N=C2C1C=CC=C2)=O)C1=CC=C(C=C1)CCCC