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ethyl 4-({[(4-bromo-1-methyl-1H-pyrazol-5-yl)carbonyl]amino}carbothioyl)-1-piperazinecarboxylate
SpectraBase Compound ID A7Zd6qF7zaG
InChI InChI=1S/C13H18BrN5O3S/c1-3-22-13(21)19-6-4-18(5-7-19)12(23)16-11(20)10-9(14)8-15-17(10)2/h8H,3-7H2,1-2H3,(H,16,20,23)
InChIKey ZTMDCXOWSOASCL-UHFFFAOYSA-N
Mol Weight 404.28 g/mol
Molecular Formula C13H18BrN5O3S
Exact Mass 403.031374 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID IWhBuThPz26
Name ethyl 4-({[(4-bromo-1-methyl-1H-pyrazol-5-yl)carbonyl]amino}carbothioyl)-1-piperazinecarboxylate
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/C13H18BrN5O3S/c1-3-22-13(21)19-6-4-18(5-7-19)12(23)16-11(20)10-9(14)8-15-17(10)2/h8H,3-7H2,1-2H3,(H,16,20,23)
InChIKey ZTMDCXOWSOASCL-UHFFFAOYSA-N
NMR Offset 15.0036
NMR Spectrometer Frequency 250.134
Observed nucleus 1H
Origin 1H_ASIOH_7529_736
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: ZI/8109051; Labnumber: OBK-0002047
Temperature 297 °C