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N-benzyl-2-(4-isobutylphenyl)-4-quinolinecarboxamide
SpectraBase Compound ID C3J09sc2L5D
InChI InChI=1S/C27H26N2O/c1-19(2)16-20-12-14-22(15-13-20)26-17-24(23-10-6-7-11-25(23)29-26)27(30)28-18-21-8-4-3-5-9-21/h3-15,17,19H,16,18H2,1-2H3,(H,28,30)
InChIKey BJKPLHBUFKULJQ-UHFFFAOYSA-N
Mol Weight 394.52 g/mol
Molecular Formula C27H26N2O
Exact Mass 394.204513 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 7FaSxxT5Qd7
Name N-Benzyl-2-(4-isobutylphenyl)-4-quinolinecarboxamide
Comments Computed using HOSE algorithm
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Exact Mass 394.204513464 u
Formula C27H26N2O
InChI InChI=1S/C27H26N2O/c1-19(2)16-20-12-14-22(15-13-20)26-17-24(23-10-6-7-11-25(23)29-26)27(30)28-18-21-8-4-3-5-9-21/h3-15,17,19H,16,18H2,1-2H3,(H,28,30)
InChIKey BJKPLHBUFKULJQ-UHFFFAOYSA-N
Molecular Weight 394.518 g/mol
SMILES N(CC1=CC=CC=C1)C(C1=CC(C2=CC=C(C=C2)CC(C)C)=NC=2C1=CC=CC2)=O