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3-[3-(4-chlorobenzoyl)-4-hydroxy-2-(4-methylphenyl)-5-oxo-2,5-dihydro-1H-pyrrol-1-yl]propanoic acid
SpectraBase Compound ID 643OcMOpUGt
InChI InChI=1S/C21H18ClNO5/c1-12-2-4-13(5-3-12)18-17(19(26)14-6-8-15(22)9-7-14)20(27)21(28)23(18)11-10-16(24)25/h2-9,18,27H,10-11H2,1H3,(H,24,25)
InChIKey NZQDUVCTGOUQIV-UHFFFAOYSA-N
Mol Weight 399.83 g/mol
Molecular Formula C21H18ClNO5
Exact Mass 399.08735 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID KLmYubq9XfD
Name 3-[3-(4-chlorobenzoyl)-4-hydroxy-2-(4-methylphenyl)-5-oxo-2,5-dihydro-1H-pyrrol-1-yl]propanoic acid
Author A.V.Yarkov, IPAC, Russia
Copyright Copyright © 2016-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2016-2021 John Wiley & Sons, Inc. All Rights Reserved.
InChI InChI=1S/C21H18ClNO5/c1-12-2-4-13(5-3-12)18-17(19(26)14-6-8-15(22)9-7-14)20(27)21(28)23(18)11-10-16(24)25/h2-9,18,27H,10-11H2,1H3,(H,24,25)
InChIKey NZQDUVCTGOUQIV-UHFFFAOYSA-N
NMR Offset 17.1563
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_14767
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: C22036; Labnumber: RPGE-3771; SBI_ID: SBI-014770
Temperature 308 °C