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Quinoline-4-carboxyamide, 6-bromo-2-phenyl-N-cyclohexyl-

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Quinoline-4-carboxyamide, 6-bromo-2-phenyl-N-cyclohexyl-
SpectraBase Compound ID 5w36GsRsTar
InChI InChI=1S/C22H21BrN2O/c23-16-11-12-20-18(13-16)19(22(26)24-17-9-5-2-6-10-17)14-21(25-20)15-7-3-1-4-8-15/h1,3-4,7-8,11-14,17H,2,5-6,9-10H2,(H,24,26)
InChIKey YCRBWMHEBBQHMC-UHFFFAOYSA-N
Mol Weight 409.33 g/mol
Molecular Formula C22H21BrN2O
Exact Mass 408.083726 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 9nk2wnnuH5M
Name Quinoline-4-carboxyamide, 6-bromo-2-phenyl-N-cyclohexyl-
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 408.083726303 u
Formula C22H21BrN2O
InChI InChI=1S/C22H21BrN2O/c23-16-11-12-20-18(13-16)19(22(26)24-17-9-5-2-6-10-17)14-21(25-20)15-7-3-1-4-8-15/h1,3-4,7-8,11-14,17H,2,5-6,9-10H2,(H,24,26)
InChIKey YCRBWMHEBBQHMC-UHFFFAOYSA-N
Molecular Weight 409.327 g/mol
SMILES C1=C2C(=CC=C1Br)N=C(C=C2C(=O)NC1CCCCC1)C1=CC=CC=C1