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4-Quinolinecarboxylic acid, 2-(4-bromophenyl)-6-methyl-, 2-(4-chloro-3-nitrophenyl)-2-oxoethyl ester

View entire compound with spectra: 2 NMR

4-Quinolinecarboxylic acid, 2-(4-bromophenyl)-6-methyl-, 2-(4-chloro-3-nitrophenyl)-2-oxoethyl ester
SpectraBase Compound ID GRNkAd2LJWD
InChI InChI=1S/C25H16BrClN2O5/c1-14-2-9-21-18(10-14)19(12-22(28-21)15-3-6-17(26)7-4-15)25(31)34-13-24(30)16-5-8-20(27)23(11-16)29(32)33/h2-12H,13H2,1H3
InChIKey CRPDTYOUWJQYMF-UHFFFAOYSA-N
Mol Weight 539.77 g/mol
Molecular Formula C25H16BrClN2O5
Exact Mass 537.993112 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 6CYvGKGAggA
Name 4-Quinolinecarboxylic acid, 2-(4-bromophenyl)-6-methyl-, 2-(4-chloro-3-nitrophenyl)-2-oxoethyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 537.993112318 u
Formula C25H16BrClN2O5
InChI InChI=1S/C25H16BrClN2O5/c1-14-2-9-21-18(10-14)19(12-22(28-21)15-3-6-17(26)7-4-15)25(31)34-13-24(30)16-5-8-20(27)23(11-16)29(32)33/h2-12H,13H2,1H3
InChIKey CRPDTYOUWJQYMF-UHFFFAOYSA-N
Molecular Weight 539.769 g/mol
SMILES CC=1C=C2C(C(OCC(C=3C=C(N(=O)=O)C(=CC3)Cl)=O)=O)=CC(=NC2=CC1)C=1C=CC(=CC1)Br