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3-[3-(4-chlorobenzoyl)-4-hydroxy-2-(4-methoxyphenyl)-5-oxo-2,5-dihydro-1H-pyrrol-1-yl]propanoic acid
SpectraBase Compound ID 5SATmERecpt
InChI InChI=1S/C21H18ClNO6/c1-29-15-8-4-12(5-9-15)18-17(19(26)13-2-6-14(22)7-3-13)20(27)21(28)23(18)11-10-16(24)25/h2-9,18,27H,10-11H2,1H3,(H,24,25)
InChIKey XEZJOIDCRDWNFX-UHFFFAOYSA-N
Mol Weight 415.83 g/mol
Molecular Formula C21H18ClNO6
Exact Mass 415.082265 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 3HwQDBdYbHv
Name 3-[3-(4-chlorobenzoyl)-4-hydroxy-2-(4-methoxyphenyl)-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/C21H18ClNO6/c1-29-15-8-4-12(5-9-15)18-17(19(26)13-2-6-14(22)7-3-13)20(27)21(28)23(18)11-10-16(24)25/h2-9,18,27H,10-11H2,1H3,(H,24,25)
InChIKey XEZJOIDCRDWNFX-UHFFFAOYSA-N
NMR Offset 17.1563
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_14768
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: C22037; Labnumber: RPGE-3772; SBI_ID: SBI-014771
Temperature 308 °C