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N-benzyl-2-({(4E)-1-(3-methoxypropyl)-4-[(1-methyl-1H-pyrazol-4-yl)methylene]-5-oxo-4,5-dihydro-1H-imidazol-2-yl}sulfanyl)acetamide
SpectraBase Compound ID JVrRPEToYI7
InChI InChI=1S/C21H25N5O3S/c1-25-14-17(13-23-25)11-18-20(28)26(9-6-10-29-2)21(24-18)30-15-19(27)22-12-16-7-4-3-5-8-16/h3-5,7-8,11,13-14H,6,9-10,12,15H2,1-2H3,(H,22,27)/b18-11+
InChIKey PRAOFKBTQUWJSV-WOJGMQOQSA-N
Mol Weight 427.52 g/mol
Molecular Formula C21H25N5O3S
Exact Mass 427.167811 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID JscIjWpYkPo
Name N-benzyl-2-({(4E)-1-(3-methoxypropyl)-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/C21H25N5O3S/c1-25-14-17(13-23-25)11-18-20(28)26(9-6-10-29-2)21(24-18)30-15-19(27)22-12-16-7-4-3-5-8-16/h3-5,7-8,11,13-14H,6,9-10,12,15H2,1-2H3,(H,22,27)/b18-11+
InChIKey PRAOFKBTQUWJSV-WOJGMQOQSA-N
NMR Offset 17.1563
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UZI_26187_11547
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/1266425; Labnumber: NIV1577; UZI_ID: UZI-011549
Synonyms N-benzyl-2-({1-(3-methoxypropyl)-4-[(1-methyl-1H-pyrazol-4-yl)methylene]-5-oxo-4,5-dihydro-1H-imidazol-2-yl}sulfanyl)acetamide
Temperature 308 °C