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4-[5-(1,3-benzodioxol-5-yl)-3-(6-chloro-2-oxo-4-phenyl-1,2-dihydro-3-quinolinyl)-4,5-dihydro-1H-pyrazol-1-yl]-4-oxobutanoic acid

View entire compound with spectra: 1 NMR

4-[5-(1,3-benzodioxol-5-yl)-3-(6-chloro-2-oxo-4-phenyl-1,2-dihydro-3-quinolinyl)-4,5-dihydro-1H-pyrazol-1-yl]-4-oxobutanoic acid
SpectraBase Compound ID LFbysVRWyii
InChI InChI=1S/C29H22ClN3O6/c30-18-7-8-20-19(13-18)27(16-4-2-1-3-5-16)28(29(37)31-20)21-14-22(33(32-21)25(34)10-11-26(35)36)17-6-9-23-24(12-17)39-15-38-23/h1-9,12-13,22H,10-11,14-15H2,(H,31,37)(H,35,36)
InChIKey VZNUOYMSWJHJRI-UHFFFAOYSA-N
Mol Weight 543.96 g/mol
Molecular Formula C29H22ClN3O6
Exact Mass 543.119713 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 87Oleialv6h
Name 4-[5-(1,3-benzodioxol-5-yl)-3-(6-chloro-2-oxo-4-phenyl-1,2-dihydro-3-quinolinyl)-4,5-dihydro-1H-pyrazol-1-yl]-4-oxobutanoic acid
Author A.V.Yarkov, IPAC, Russia
Copyright Copyright © 2016-2025 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2016-2025 John Wiley & Sons, Inc. All Rights Reserved.
InChI InChI=1S/C29H22ClN3O6/c30-18-7-8-20-19(13-18)27(16-4-2-1-3-5-16)28(29(37)31-20)21-14-22(33(32-21)25(34)10-11-26(35)36)17-6-9-23-24(12-17)39-15-38-23/h1-9,12-13,22H,10-11,14-15H2,(H,31,37)(H,35,36)
InChIKey VZNUOYMSWJHJRI-UHFFFAOYSA-N
NMR Offset 15.5012
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_2446
Owner Copyright (C) 2016 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright (C) 2016 John Wiley & Sons, Inc.
Sample State soluted
Solvent DMSO-d6
Source File Reference VendorID: D03022; Labnumber: EXVost5-0087; SBI_ID: SBI-002448
Temperature 303 °C