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ethyl 4-{4-[2-(4-chloroanilino)-2-oxoethyl]-3-[(1,5-dimethyl-1H-pyrazol-4-yl)methyl]-5-oxo-2-thioxo-1-imidazolidinyl}benzoate
SpectraBase Compound ID LFuBzlngkx2
InChI InChI=1S/C26H26ClN5O4S/c1-4-36-25(35)17-5-11-21(12-6-17)32-24(34)22(13-23(33)29-20-9-7-19(27)8-10-20)31(26(32)37)15-18-14-28-30(3)16(18)2/h5-12,14,22H,4,13,15H2,1-3H3,(H,29,33)
InChIKey YRQIPUFOARYJBN-UHFFFAOYSA-N
Mol Weight 540.04 g/mol
Molecular Formula C26H26ClN5O4S
Exact Mass 539.139403 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 4auCwmuQH1n
Name ethyl 4-{4-[2-(4-chloroanilino)-2-oxoethyl]-3-[(1,5-dimethyl-1H-pyrazol-4-yl)methyl]-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/C26H26ClN5O4S/c1-4-36-25(35)17-5-11-21(12-6-17)32-24(34)22(13-23(33)29-20-9-7-19(27)8-10-20)31(26(32)37)15-18-14-28-30(3)16(18)2/h5-12,14,22H,4,13,15H2,1-3H3,(H,29,33)
InChIKey YRQIPUFOARYJBN-UHFFFAOYSA-N
NMR Offset 16.0772
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UZI_26187_16752
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: UZI/1020046; Labnumber: POL0006; UZI_ID: UZI-016756
Temperature 308 °C