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methyl 4-[({[(4-bromo-1,3-dimethyl-1H-pyrazol-5-yl)carbonyl]amino}carbothioyl)amino]benzoate
SpectraBase Compound ID KbGu3QgPsxd
InChI InChI=1S/C15H15BrN4O3S/c1-8-11(16)12(20(2)19-8)13(21)18-15(24)17-10-6-4-9(5-7-10)14(22)23-3/h4-7H,1-3H3,(H2,17,18,21,24)
InChIKey LRBSPBIYNBQMKQ-UHFFFAOYSA-N
Mol Weight 411.27 g/mol
Molecular Formula C15H15BrN4O3S
Exact Mass 410.004825 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 96AdFgmUUzA
Name methyl 4-[({[(4-bromo-1,3-dimethyl-1H-pyrazol-5-yl)carbonyl]amino}carbothioyl)amino]benzoate
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/C15H15BrN4O3S/c1-8-11(16)12(20(2)19-8)13(21)18-15(24)17-10-6-4-9(5-7-10)14(22)23-3/h4-7H,1-3H3,(H2,17,18,21,24)
InChIKey LRBSPBIYNBQMKQ-UHFFFAOYSA-N
NMR Offset 15.3537
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI_21270_6963
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: 9686600; UBI_ID: UBI-006965
Temperature 308 °C