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ethyl 4-[4-[2-(4-chloroanilino)-2-oxoethyl]-3-(3,4-dimethoxybenzyl)-5-oxo-2-thioxo-1-imidazolidinyl]benzoate
SpectraBase Compound ID HnFadoe2DWC
InChI InChI=1S/C29H28ClN3O6S/c1-4-39-28(36)19-6-12-22(13-7-19)33-27(35)23(16-26(34)31-21-10-8-20(30)9-11-21)32(29(33)40)17-18-5-14-24(37-2)25(15-18)38-3/h5-15,23H,4,16-17H2,1-3H3,(H,31,34)
InChIKey XMQCPTXWPYFWBP-UHFFFAOYSA-N
Mol Weight 582.07 g/mol
Molecular Formula C29H28ClN3O6S
Exact Mass 581.138735 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID KGqPcotAJha
Name ethyl 4-[4-[2-(4-chloroanilino)-2-oxoethyl]-3-(3,4-dimethoxybenzyl)-5-oxo-2-thioxo-1-imidazolidinyl]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/C29H28ClN3O6S/c1-4-39-28(36)19-6-12-22(13-7-19)33-27(35)23(16-26(34)31-21-10-8-20(30)9-11-21)32(29(33)40)17-18-5-14-24(37-2)25(15-18)38-3/h5-15,23H,4,16-17H2,1-3H3,(H,31,34)
InChIKey XMQCPTXWPYFWBP-UHFFFAOYSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_2284
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: D02360; Labnumber: MPOL-10730; SBI_ID: SBI-002286
Temperature 318 °C