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methyl 4-({[3-(4-chlorobenzyl)-1-methyl-5-oxo-2-thioxo-4-imidazolidinyl]acetyl}amino)benzoate
SpectraBase Compound ID IrucRcHclgw
InChI InChI=1S/C21H20ClN3O4S/c1-24-19(27)17(25(21(24)30)12-13-3-7-15(22)8-4-13)11-18(26)23-16-9-5-14(6-10-16)20(28)29-2/h3-10,17H,11-12H2,1-2H3,(H,23,26)
InChIKey ZDDQBOHWADULKT-UHFFFAOYSA-N
Mol Weight 445.92 g/mol
Molecular Formula C21H20ClN3O4S
Exact Mass 445.086305 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID HlK2a4oG97O
Name methyl 4-({[3-(4-chlorobenzyl)-1-methyl-5-oxo-2-thioxo-4-imidazolidinyl]acetyl}amino)benzoate
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/C21H20ClN3O4S/c1-24-19(27)17(25(21(24)30)12-13-3-7-15(22)8-4-13)11-18(26)23-16-9-5-14(6-10-16)20(28)29-2/h3-10,17H,11-12H2,1-2H3,(H,23,26)
InChIKey ZDDQBOHWADULKT-UHFFFAOYSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_2256
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: D02332; Labnumber: MPOL-10335; SBI_ID: SBI-002258
Temperature 318 °C