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6-bromo-2-(3-methoxyphenyl)-N-[1-(4-methoxyphenyl)ethyl]-4-quinolinecarboxamide
SpectraBase Compound ID IdC1pI4WCLK
InChI InChI=1S/C26H23BrN2O3/c1-16(17-7-10-20(31-2)11-8-17)28-26(30)23-15-25(18-5-4-6-21(13-18)32-3)29-24-12-9-19(27)14-22(23)24/h4-16H,1-3H3,(H,28,30)
InChIKey UNJOPQBCNKRSBO-UHFFFAOYSA-N
Mol Weight 491.39 g/mol
Molecular Formula C26H23BrN2O3
Exact Mass 490.089206 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID K0Cxmbehuve
Name 6-Bromo-2-(3-methoxyphenyl)-N-[1-(4-methoxyphenyl)ethyl]-4-quinolinecarboxamide
Comments Computed using HOSE algorithm
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Exact Mass 490.089205606 u
Formula C26H23BrN2O3
InChI InChI=1S/C26H23BrN2O3/c1-16(17-7-10-20(31-2)11-8-17)28-26(30)23-15-25(18-5-4-6-21(13-18)32-3)29-24-12-9-19(27)14-22(23)24/h4-16H,1-3H3,(H,28,30)
InChIKey UNJOPQBCNKRSBO-UHFFFAOYSA-N
Molecular Weight 491.385 g/mol
SMILES N(C(C1=CC=C(C=C1)OC)C)C(C=1C=2C(=CC=C(C2)Br)N=C(C1)C1=CC(OC)=CC=C1)=O