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N-(4-sec-butylphenyl)-2-(4-ethylphenyl)-4-quinolinecarboxamide

View entire compound with spectra: 2 NMR

N-(4-sec-butylphenyl)-2-(4-ethylphenyl)-4-quinolinecarboxamide
SpectraBase Compound ID 4CcMuXDEPWw
InChI InChI=1S/C28H28N2O/c1-4-19(3)21-14-16-23(17-15-21)29-28(31)25-18-27(22-12-10-20(5-2)11-13-22)30-26-9-7-6-8-24(25)26/h6-19H,4-5H2,1-3H3,(H,29,31)
InChIKey HNMYCKXMPSCOCW-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 LolnLEnFhAZ
Name N-(4-sec-Butylphenyl)-2-(4-ethylphenyl)-4-quinolinecarboxamide
Comments Computed using HOSE algorithm
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Exact Mass 408.220163529 u
Formula C28H28N2O
InChI InChI=1S/C28H28N2O/c1-4-19(3)21-14-16-23(17-15-21)29-28(31)25-18-27(22-12-10-20(5-2)11-13-22)30-26-9-7-6-8-24(25)26/h6-19H,4-5H2,1-3H3,(H,29,31)
InChIKey HNMYCKXMPSCOCW-UHFFFAOYSA-N
Molecular Weight 408.545 g/mol
SMILES N(C(C=1C=C(C=2C=CC(CC)=CC2)N=C2C1C=CC=C2)=O)C1=CC=C(C(CC)C)C=C1