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2-(4-butoxyphenyl)-N-[1-(4-methylphenyl)ethyl]-4-quinolinecarboxamide
SpectraBase Compound ID 8teXRVyVSdo
InChI InChI=1S/C29H30N2O2/c1-4-5-18-33-24-16-14-23(15-17-24)28-19-26(25-8-6-7-9-27(25)31-28)29(32)30-21(3)22-12-10-20(2)11-13-22/h6-17,19,21H,4-5,18H2,1-3H3,(H,30,32)
InChIKey PWVDJUMZJGMLHU-UHFFFAOYSA-N
Mol Weight 438.57 g/mol
Molecular Formula C29H30N2O2
Exact Mass 438.230728 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Fib9G6449RY
Name 2-(4-Butoxyphenyl)-N-[1-(4-methylphenyl)ethyl]-4-quinolinecarboxamide
Comments Computed using HOSE algorithm
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Exact Mass 438.230728212 u
Formula C29H30N2O2
InChI InChI=1S/C29H30N2O2/c1-4-5-18-33-24-16-14-23(15-17-24)28-19-26(25-8-6-7-9-27(25)31-28)29(32)30-21(3)22-12-10-20(2)11-13-22/h6-17,19,21H,4-5,18H2,1-3H3,(H,30,32)
InChIKey PWVDJUMZJGMLHU-UHFFFAOYSA-N
Molecular Weight 438.571 g/mol
SMILES N(C(C=1C=CC(=CC1)C)C)C(C1=CC(C2=CC=C(C=C2)OCCCC)=NC=2C1=CC=CC2)=O