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6-bromo-N-isopropyl-2-(4-methoxyphenyl)-4-quinolinecarboxamide

View entire compound with spectra: 2 NMR

6-bromo-N-isopropyl-2-(4-methoxyphenyl)-4-quinolinecarboxamide
SpectraBase Compound ID BUFXr7yyplq
InChI InChI=1S/C20H19BrN2O2/c1-12(2)22-20(24)17-11-19(13-4-7-15(25-3)8-5-13)23-18-9-6-14(21)10-16(17)18/h4-12H,1-3H3,(H,22,24)
InChIKey LMGYFNDQWYOABX-UHFFFAOYSA-N
Mol Weight 399.29 g/mol
Molecular Formula C20H19BrN2O2
Exact Mass 398.062991 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 4MWL6zvHwE
Name 6-Bromo-N-isopropyl-2-(4-methoxyphenyl)-4-quinolinecarboxamide
Comments Computed using HOSE algorithm
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Exact Mass 398.062990858 u
Formula C20H19BrN2O2
InChI InChI=1S/C20H19BrN2O2/c1-12(2)22-20(24)17-11-19(13-4-7-15(25-3)8-5-13)23-18-9-6-14(21)10-16(17)18/h4-12H,1-3H3,(H,22,24)
InChIKey LMGYFNDQWYOABX-UHFFFAOYSA-N
Molecular Weight 399.288 g/mol
SMILES N(C(C)C)C(C=1C=2C(=CC=C(C2)Br)N=C(C1)C1=CC=C(C=C1)OC)=O