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N-benzyl-2-{[(4E)-4-[(1,3-dimethyl-1H-pyrazol-4-yl)methylene]-1-(3-methoxypropyl)-5-oxo-4,5-dihydro-1H-imidazol-2-yl]sulfanyl}acetamide
SpectraBase Compound ID HCiQUAtDf7M
InChI InChI=1S/C22H27N5O3S/c1-16-18(14-26(2)25-16)12-19-21(29)27(10-7-11-30-3)22(24-19)31-15-20(28)23-13-17-8-5-4-6-9-17/h4-6,8-9,12,14H,7,10-11,13,15H2,1-3H3,(H,23,28)/b19-12+
InChIKey NLLFZPFTZCYTCB-XDHOZWIPSA-N
Mol Weight 441.55 g/mol
Molecular Formula C22H27N5O3S
Exact Mass 441.183461 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 2j8Fv7UV7Hv
Name N-benzyl-2-{[(4E)-4-[(1,3-dimethyl-1H-pyrazol-4-yl)methylene]-1-(3-methoxypropyl)-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/C22H27N5O3S/c1-16-18(14-26(2)25-16)12-19-21(29)27(10-7-11-30-3)22(24-19)31-15-20(28)23-13-17-8-5-4-6-9-17/h4-6,8-9,12,14H,7,10-11,13,15H2,1-3H3,(H,23,28)/b19-12+
InChIKey NLLFZPFTZCYTCB-XDHOZWIPSA-N
NMR Offset 17.1563
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UZI_26187_11567
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/1267360; Labnumber: NIV1597; UZI_ID: UZI-011569
Synonyms N-benzyl-2-{[4-[(1,3-dimethyl-1H-pyrazol-4-yl)methylene]-1-(3-methoxypropyl)-5-oxo-4,5-dihydro-1H-imidazol-2-yl]sulfanyl}acetamide
Temperature 308 °C