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2-({(4E)-1-isobutyl-4-[(1-methyl-1H-pyrazol-4-yl)methylene]-5-oxo-4,5-dihydro-1H-imidazol-2-yl}sulfanyl)-N-(4-nitrophenyl)acetamide

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2-({(4E)-1-isobutyl-4-[(1-methyl-1H-pyrazol-4-yl)methylene]-5-oxo-4,5-dihydro-1H-imidazol-2-yl}sulfanyl)-N-(4-nitrophenyl)acetamide
SpectraBase Compound ID FFZnE7mDRha
InChI InChI=1S/C20H22N6O4S/c1-13(2)10-25-19(28)17(8-14-9-21-24(3)11-14)23-20(25)31-12-18(27)22-15-4-6-16(7-5-15)26(29)30/h4-9,11,13H,10,12H2,1-3H3,(H,22,27)/b17-8+
InChIKey OVHUDTXUDNWWTJ-CAOOACKPSA-N
Mol Weight 442.49 g/mol
Molecular Formula C20H22N6O4S
Exact Mass 442.142324 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID FtI0SkEA5VU
Name 2-({(4E)-1-isobutyl-4-[(1-methyl-1H-pyrazol-4-yl)methylene]-5-oxo-4,5-dihydro-1H-imidazol-2-yl}sulfanyl)-N-(4-nitrophenyl)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/C20H22N6O4S/c1-13(2)10-25-19(28)17(8-14-9-21-24(3)11-14)23-20(25)31-12-18(27)22-15-4-6-16(7-5-15)26(29)30/h4-9,11,13H,10,12H2,1-3H3,(H,22,27)/b17-8+
InChIKey OVHUDTXUDNWWTJ-CAOOACKPSA-N
NMR Offset 17.1563
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UZI_26187_11537
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/1266476; Labnumber: NIV1567; UZI_ID: UZI-011539
Synonyms 2-({1-isobutyl-4-[(1-methyl-1H-pyrazol-4-yl)methylene]-5-oxo-4,5-dihydro-1H-imidazol-2-yl}sulfanyl)-N-(4-nitrophenyl)acetamide
Temperature 308 °C