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4-Quinolinecarboxylic acid, 2-(4-ethylphenyl)-6-methyl-, 2-(4-bromophenyl)-2-oxoethyl ester

View entire compound with spectra: 2 NMR

4-Quinolinecarboxylic acid, 2-(4-ethylphenyl)-6-methyl-, 2-(4-bromophenyl)-2-oxoethyl ester
SpectraBase Compound ID GdP82JkrCUO
InChI InChI=1S/C27H22BrNO3/c1-3-18-5-7-19(8-6-18)25-15-23(22-14-17(2)4-13-24(22)29-25)27(31)32-16-26(30)20-9-11-21(28)12-10-20/h4-15H,3,16H2,1-2H3
InChIKey WPBPMDDWNFYXBM-UHFFFAOYSA-N
Mol Weight 488.38 g/mol
Molecular Formula C27H22BrNO3
Exact Mass 487.078307 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID FXNBmvuml6Y
Name 4-Quinolinecarboxylic acid, 2-(4-ethylphenyl)-6-methyl-, 2-(4-bromophenyl)-2-oxoethyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 487.078306569 u
Formula C27H22BrNO3
InChI InChI=1S/C27H22BrNO3/c1-3-18-5-7-19(8-6-18)25-15-23(22-14-17(2)4-13-24(22)29-25)27(31)32-16-26(30)20-9-11-21(28)12-10-20/h4-15H,3,16H2,1-2H3
InChIKey WPBPMDDWNFYXBM-UHFFFAOYSA-N
Molecular Weight 488.381 g/mol
SMILES C=1(C2=C(C=CC(=C2)C)N=C(C1)C1=CC=C(C=C1)CC)C(OCC(C=1C=CC(=CC1)Br)=O)=O