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benzoic acid, 2-chloro-5-[(4E)-4-[(1,2-dihydro-2-oxo-3-quinolinyl)methylene]-4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-1-yl]-

View entire compound with spectra: 1 NMR

benzoic acid, 2-chloro-5-[(4E)-4-[(1,2-dihydro-2-oxo-3-quinolinyl)methylene]-4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-1-yl]-
SpectraBase Compound ID 207nFXkuG4H
InChI InChI=1S/C21H14ClN3O4/c1-11-15(9-13-8-12-4-2-3-5-18(12)23-19(13)26)20(27)25(24-11)14-6-7-17(22)16(10-14)21(28)29/h2-10H,1H3,(H,23,26)(H,28,29)/b15-9+
InChIKey QOMPWXBJYIGNBR-OQLLNIDSSA-N
Mol Weight 407.81 g/mol
Molecular Formula C21H14ClN3O4
Exact Mass 407.067284 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID B7VCIaQ2nbK
Name benzoic acid, 2-chloro-5-[(4E)-4-[(1,2-dihydro-2-oxo-3-quinolinyl)methylene]-4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-1-yl]-
Copyright Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 407.067283639 u
Formula C21H14ClN3O4
InChI InChI=1S/C21H14ClN3O4/c1-11-15(9-13-8-12-4-2-3-5-18(12)23-19(13)26)20(27)25(24-11)14-6-7-17(22)16(10-14)21(28)29/h2-10H,1H3,(H,23,26)(H,28,29)/b15-9+
InChIKey QOMPWXBJYIGNBR-OQLLNIDSSA-N
Molecular Weight 407.813 g/mol
NMR Offset 17.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2017_5684
Solvent DMSO-d6
Source Vendor ID: NMR/9301322; Lab Info: SAD; Lab Number: SAD-DAST961