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1-imidazolidineacetic acid, 3-(3-chlorophenyl)-5-[2-[(4-fluorophenyl)amino]-2-oxoethyl]-4-oxo-2-thioxo-, methyl ester
SpectraBase Compound ID Hh6RtSl0aiC
InChI InChI=1S/C20H17ClFN3O4S/c1-29-18(27)11-24-16(10-17(26)23-14-7-5-13(22)6-8-14)19(28)25(20(24)30)15-4-2-3-12(21)9-15/h2-9,16H,10-11H2,1H3,(H,23,26)
InChIKey NIMOTXBYOJZHOZ-UHFFFAOYSA-N
Mol Weight 449.88 g/mol
Molecular Formula C20H17ClFN3O4S
Exact Mass 449.061233 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID GQ8HpAyBemf
Name 1-imidazolidineacetic acid, 3-(3-chlorophenyl)-5-[2-[(4-fluorophenyl)amino]-2-oxoethyl]-4-oxo-2-thioxo-, methyl ester
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/C20H17ClFN3O4S/c1-29-18(27)11-24-16(10-17(26)23-14-7-5-13(22)6-8-14)19(28)25(20(24)30)15-4-2-3-12(21)9-15/h2-9,16H,10-11H2,1H3,(H,23,26)
InChIKey NIMOTXBYOJZHOZ-UHFFFAOYSA-N
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Origin 1H_CB3_9000_6085
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/12219663