For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.
ethyl ({(4E)-1-isobutyl-4-[(1-methyl-1H-pyrazol-4-yl)methylene]-5-oxo-4,5-dihydro-1H-imidazol-2-yl}sulfanyl)acetate
SpectraBase Compound ID 6pGbxyblQIR
InChI InChI=1S/C16H22N4O3S/c1-5-23-14(21)10-24-16-18-13(6-12-7-17-19(4)9-12)15(22)20(16)8-11(2)3/h6-7,9,11H,5,8,10H2,1-4H3/b13-6+
InChIKey IBBQWWUJWBMJCT-AWNIVKPZSA-N
Mol Weight 350.44 g/mol
Molecular Formula C16H22N4O3S
Exact Mass 350.141262 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID 7J8xXEUEwER
Name ethyl ({(4E)-1-isobutyl-4-[(1-methyl-1H-pyrazol-4-yl)methylene]-5-oxo-4,5-dihydro-1H-imidazol-2-yl}sulfanyl)acetate
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/C16H22N4O3S/c1-5-23-14(21)10-24-16-18-13(6-12-7-17-19(4)9-12)15(22)20(16)8-11(2)3/h6-7,9,11H,5,8,10H2,1-4H3/b13-6+
InChIKey IBBQWWUJWBMJCT-AWNIVKPZSA-N
NMR Offset 17.1563
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UZI_26187_11551
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/1266572; Labnumber: NIV1581; UZI_ID: UZI-011553
Synonyms ethyl ({1-isobutyl-4-[(1-methyl-1H-pyrazol-4-yl)methylene]-5-oxo-4,5-dihydro-1H-imidazol-2-yl}sulfanyl)acetate
Temperature 308 °C