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4-Quinolinecarboxylic acid, 2-(3,4-dimethylphenyl)-6-methyl-, 2-oxo-2-phenylethyl ester

View entire compound with spectra: 2 NMR

4-Quinolinecarboxylic acid, 2-(3,4-dimethylphenyl)-6-methyl-, 2-oxo-2-phenylethyl ester
SpectraBase Compound ID F0tOMVyGYIV
InChI InChI=1S/C27H23NO3/c1-17-9-12-24-22(13-17)23(15-25(28-24)21-11-10-18(2)19(3)14-21)27(30)31-16-26(29)20-7-5-4-6-8-20/h4-15H,16H2,1-3H3
InChIKey MLTPBBJTFSMCOI-UHFFFAOYSA-N
Mol Weight 409.49 g/mol
Molecular Formula C27H23NO3
Exact Mass 409.167794 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID E5tl8rBc3SA
Name 4-Quinolinecarboxylic acid, 2-(3,4-dimethylphenyl)-6-methyl-, 2-oxo-2-phenylethyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 409.167793602 u
Formula C27H23NO3
InChI InChI=1S/C27H23NO3/c1-17-9-12-24-22(13-17)23(15-25(28-24)21-11-10-18(2)19(3)14-21)27(30)31-16-26(29)20-7-5-4-6-8-20/h4-15H,16H2,1-3H3
InChIKey MLTPBBJTFSMCOI-UHFFFAOYSA-N
Molecular Weight 409.485 g/mol
SMILES C1(=C2C(C=CC(=C2)C)=NC(=C1)C1=CC(C)=C(C=C1)C)C(OCC(=O)C1=CC=CC=C1)=O