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3-[3-(4-chlorobenzoyl)-2-(4-ethoxyphenyl)-4-hydroxy-5-oxo-2,5-dihydro-1H-pyrrol-1-yl]propanoic acid
SpectraBase Compound ID CFQx0PvQlzv
InChI InChI=1S/C22H20ClNO6/c1-2-30-16-9-5-13(6-10-16)19-18(20(27)14-3-7-15(23)8-4-14)21(28)22(29)24(19)12-11-17(25)26/h3-10,19,28H,2,11-12H2,1H3,(H,25,26)
InChIKey HYBHZVVAGQSFHE-UHFFFAOYSA-N
Mol Weight 429.86 g/mol
Molecular Formula C22H20ClNO6
Exact Mass 429.097915 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 5ZUqA49mAaG
Name 3-[3-(4-chlorobenzoyl)-2-(4-ethoxyphenyl)-4-hydroxy-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/C22H20ClNO6/c1-2-30-16-9-5-13(6-10-16)19-18(20(27)14-3-7-15(23)8-4-14)21(28)22(29)24(19)12-11-17(25)26/h3-10,19,28H,2,11-12H2,1H3,(H,25,26)
InChIKey HYBHZVVAGQSFHE-UHFFFAOYSA-N
NMR Offset 17.1563
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_14775
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: C22048; Labnumber: RPGE-3788; SBI_ID: SBI-014778
Temperature 308 °C