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4-quinolinecarboxamide, N-[4-(diethylamino)phenyl]-2-(4-methylphenyl)-
SpectraBase Compound ID 9tMXlcGt5HB
InChI InChI=1S/C27H27N3O/c1-4-30(5-2)22-16-14-21(15-17-22)28-27(31)24-18-26(20-12-10-19(3)11-13-20)29-25-9-7-6-8-23(24)25/h6-18H,4-5H2,1-3H3,(H,28,31)
InChIKey NYTJJUGLOXUUIE-UHFFFAOYSA-N
Mol Weight 409.53 g/mol
Molecular Formula C27H27N3O
Exact Mass 409.215413 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 43AVt4Ka5L6
Name 4-Quinolinecarboxamide, N-[4-(diethylamino)phenyl]-2-(4-methylphenyl)-
Comments Computed using HOSE algorithm
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Exact Mass 409.215412500 u
Formula C27H27N3O
InChI InChI=1S/C27H27N3O/c1-4-30(5-2)22-16-14-21(15-17-22)28-27(31)24-18-26(20-12-10-19(3)11-13-20)29-25-9-7-6-8-23(24)25/h6-18H,4-5H2,1-3H3,(H,28,31)
InChIKey NYTJJUGLOXUUIE-UHFFFAOYSA-N
Molecular Weight 409.533 g/mol
SMILES N(C(C=1C=C(C2=CC=C(C=C2)C)N=C2C1C=CC=C2)=O)C1=CC=C(C=C1)N(CC)CC