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

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N-benzyl-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 5WTGV3nHulN
InChI InChI=1S/C21H25N5O2S/c1-15(2)12-26-20(28)18(9-17-11-23-25(3)13-17)24-21(26)29-14-19(27)22-10-16-7-5-4-6-8-16/h4-9,11,13,15H,10,12,14H2,1-3H3,(H,22,27)/b18-9+
InChIKey MNPCJOBCYQTMTB-GIJQJNRQSA-N
Mol Weight 411.52 g/mol
Molecular Formula C21H25N5O2S
Exact Mass 411.172896 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID B0q0v394PYu
Name N-benzyl-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/C21H25N5O2S/c1-15(2)12-26-20(28)18(9-17-11-23-25(3)13-17)24-21(26)29-14-19(27)22-10-16-7-5-4-6-8-16/h4-9,11,13,15H,10,12,14H2,1-3H3,(H,22,27)/b18-9+
InChIKey MNPCJOBCYQTMTB-GIJQJNRQSA-N
NMR Offset 17.1563
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UZI_26187_11541
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/1267300; Labnumber: NIV1571; UZI_ID: UZI-011543
Synonyms N-benzyl-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