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5-(4-chlorophenyl)-1-(2-(dimethylammonio)ethyl)-4-(4-fluorobenzoyl)-2-oxo-2,5-dihydro-1H-pyrrol-3-olate
SpectraBase Compound ID xykVIcTwHo
InChI InChI=1S/C21H20ClFN2O3/c1-24(2)11-12-25-18(13-3-7-15(22)8-4-13)17(20(27)21(25)28)19(26)14-5-9-16(23)10-6-14/h3-10,18,27H,11-12H2,1-2H3
InChIKey VUIRZZFUHFXXIE-UHFFFAOYSA-N
Mol Weight 402.85 g/mol
Molecular Formula C21H20ClFN2O3
Exact Mass 402.114648 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID KZ3qC9Fvb9u
Name 5-(4-chlorophenyl)-1-(2-(dimethylammonio)ethyl)-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/C21H20ClFN2O3/c1-24(2)11-12-25-18(13-3-7-15(22)8-4-13)17(20(27)21(25)28)19(26)14-5-9-16(23)10-6-14/h3-10,18,27H,11-12H2,1-2H3
InChIKey VUIRZZFUHFXXIE-UHFFFAOYSA-N
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Origin 1H_CB3_9000_2036
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/11268540