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methyl 2-[({[4-bromo-1-(4-chlorobenzyl)-1H-pyrazol-3-yl]amino}carbothioyl)amino]-4-ethyl-5-methyl-3-thiophenecarboxylate
SpectraBase Compound ID 8KkLCzUZmTn
InChI InChI=1S/C20H20BrClN4O2S2/c1-4-14-11(2)30-18(16(14)19(27)28-3)24-20(29)23-17-15(21)10-26(25-17)9-12-5-7-13(22)8-6-12/h5-8,10H,4,9H2,1-3H3,(H2,23,24,25,29)
InChIKey GSTHBXCFOKPIPN-UHFFFAOYSA-N
Mol Weight 527.88 g/mol
Molecular Formula C20H20BrClN4O2S2
Exact Mass 525.989959 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID BK74e645nkq
Name methyl 2-[({[4-bromo-1-(4-chlorobenzyl)-1H-pyrazol-3-yl]amino}carbothioyl)amino]-4-ethyl-5-methyl-3-thiophenecarboxylate
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/C20H20BrClN4O2S2/c1-4-14-11(2)30-18(16(14)19(27)28-3)24-20(29)23-17-15(21)10-26(25-17)9-12-5-7-13(22)8-6-12/h5-8,10H,4,9H2,1-3H3,(H2,23,24,25,29)
InChIKey GSTHBXCFOKPIPN-UHFFFAOYSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UZI_26187_8110
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/1269357; Labnumber: COL6815; UZI_ID: UZI-008112
Temperature 318 °C