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5-(4-chlorophenyl)-1-(3-(dimethylammonio)propyl)-4-(4-fluorobenzoyl)-2-oxo-2,5-dihydro-1H-pyrrol-3-olate
SpectraBase Compound ID JGD2ApbIMJD
InChI InChI=1S/C22H22ClFN2O3/c1-25(2)12-3-13-26-19(14-4-8-16(23)9-5-14)18(21(28)22(26)29)20(27)15-6-10-17(24)11-7-15/h4-11,19,28H,3,12-13H2,1-2H3
InChIKey BLGBHCJPYXFKRZ-UHFFFAOYSA-N
Mol Weight 416.88 g/mol
Molecular Formula C22H22ClFN2O3
Exact Mass 416.130298 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID COXTaIadVHg
Name 5-(4-chlorophenyl)-1-(3-(dimethylammonio)propyl)-4-(4-fluorobenzoyl)-2-oxo-2,5-dihydro-1H-pyrrol-3-olate
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/C22H22ClFN2O3/c1-25(2)12-3-13-26-19(14-4-8-16(23)9-5-14)18(21(28)22(26)29)20(27)15-6-10-17(24)11-7-15/h4-11,19,28H,3,12-13H2,1-2H3
InChIKey BLGBHCJPYXFKRZ-UHFFFAOYSA-N
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Origin 1H_CB3_9000_1905
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/11268310