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3-[3-(4-chlorobenzoyl)-4-hydroxy-2-(4-isopropylphenyl)-5-oxo-2,5-dihydro-1H-pyrrol-1-yl]propanoic acid
SpectraBase Compound ID ETTg0VnaRGT
InChI InChI=1S/C23H22ClNO5/c1-13(2)14-3-5-15(6-4-14)20-19(21(28)16-7-9-17(24)10-8-16)22(29)23(30)25(20)12-11-18(26)27/h3-10,13,20,29H,11-12H2,1-2H3,(H,26,27)
InChIKey VXNKEZJRXSQNOL-UHFFFAOYSA-N
Mol Weight 427.88 g/mol
Molecular Formula C23H22ClNO5
Exact Mass 427.118651 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 5YJKjEkkhsI
Name 3-[3-(4-chlorobenzoyl)-4-hydroxy-2-(4-isopropylphenyl)-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/C23H22ClNO5/c1-13(2)14-3-5-15(6-4-14)20-19(21(28)16-7-9-17(24)10-8-16)22(29)23(30)25(20)12-11-18(26)27/h3-10,13,20,29H,11-12H2,1-2H3,(H,26,27)
InChIKey VXNKEZJRXSQNOL-UHFFFAOYSA-N
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Origin 1H_ASIOH_7000_4787
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: NMR/10031521; IOH_ID: IOH-004788