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N-(2,4-dichlorophenyl)-2-({(4E)-1-isobutyl-4-[(1-methyl-1H-pyrazol-4-yl)methylene]-5-oxo-4,5-dihydro-1H-imidazol-2-yl}sulfanyl)acetamide
SpectraBase Compound ID 3M5jeAGChl0
InChI InChI=1S/C20H21Cl2N5O2S/c1-12(2)9-27-19(29)17(6-13-8-23-26(3)10-13)25-20(27)30-11-18(28)24-16-5-4-14(21)7-15(16)22/h4-8,10,12H,9,11H2,1-3H3,(H,24,28)/b17-6+
InChIKey QIBBWZHFRRJHEW-UBKPWBPPSA-N
Mol Weight 466.39 g/mol
Molecular Formula C20H21Cl2N5O2S
Exact Mass 465.079302 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID GEO3VLdVdXK
Name N-(2,4-dichlorophenyl)-2-({(4E)-1-isobutyl-4-[(1-methyl-1H-pyrazol-4-yl)methylene]-5-oxo-4,5-dihydro-1H-imidazol-2-yl}sulfanyl)acetamide
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/C20H21Cl2N5O2S/c1-12(2)9-27-19(29)17(6-13-8-23-26(3)10-13)25-20(27)30-11-18(28)24-16-5-4-14(21)7-15(16)22/h4-8,10,12H,9,11H2,1-3H3,(H,24,28)/b17-6+
InChIKey QIBBWZHFRRJHEW-UBKPWBPPSA-N
NMR Offset 17.1563
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UZI_26187_11542
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/1266291; Labnumber: NIV1572; UZI_ID: UZI-011544
Synonyms N-(2,4-dichlorophenyl)-2-({1-isobutyl-4-[(1-methyl-1H-pyrazol-4-yl)methylene]-5-oxo-4,5-dihydro-1H-imidazol-2-yl}sulfanyl)acetamide
Temperature 308 °C