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N-(4-acetylphenyl)-2-(3-butoxyphenyl)-4-quinolinecarboxamide
SpectraBase Compound ID I7kiFCUX1xY
InChI InChI=1S/C28H26N2O3/c1-3-4-16-33-23-9-7-8-21(17-23)27-18-25(24-10-5-6-11-26(24)30-27)28(32)29-22-14-12-20(13-15-22)19(2)31/h5-15,17-18H,3-4,16H2,1-2H3,(H,29,32)
InChIKey ZGAKQIZNTNVKSF-UHFFFAOYSA-N
Mol Weight 438.53 g/mol
Molecular Formula C28H26N2O3
Exact Mass 438.194343 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID L77QcfLOqxm
Name N-(4-Acetylphenyl)-2-(3-butoxyphenyl)-4-quinolinecarboxamide
Comments Computed using HOSE algorithm
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Exact Mass 438.194342702 u
Formula C28H26N2O3
InChI InChI=1S/C28H26N2O3/c1-3-4-16-33-23-9-7-8-21(17-23)27-18-25(24-10-5-6-11-26(24)30-27)28(32)29-22-14-12-20(13-15-22)19(2)31/h5-15,17-18H,3-4,16H2,1-2H3,(H,29,32)
InChIKey ZGAKQIZNTNVKSF-UHFFFAOYSA-N
Molecular Weight 438.527 g/mol
SMILES N(C=1C=CC(C(=O)C)=CC1)C(C1=CC(C2=CC(OCCCC)=CC=C2)=NC=2C1=CC=CC2)=O