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N-{4-[(4-bromo-1H-pyrazol-1-yl)methyl]benzoyl}-N'-(2,4-dimethyl-6-nitrophenyl)thiourea
SpectraBase Compound ID EjODlsB1EWi
InChI InChI=1S/C20H18BrN5O3S/c1-12-7-13(2)18(17(8-12)26(28)29)23-20(30)24-19(27)15-5-3-14(4-6-15)10-25-11-16(21)9-22-25/h3-9,11H,10H2,1-2H3,(H2,23,24,27,30)
InChIKey FTAGPTBDIRNXQI-UHFFFAOYSA-N
Mol Weight 488.36 g/mol
Molecular Formula C20H18BrN5O3S
Exact Mass 487.031374 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 6XFHN3WThLx
Name N-{4-[(4-bromo-1H-pyrazol-1-yl)methyl]benzoyl}-N'-(2,4-dimethyl-6-nitrophenyl)thiourea
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/C20H18BrN5O3S/c1-12-7-13(2)18(17(8-12)26(28)29)23-20(30)24-19(27)15-5-3-14(4-6-15)10-25-11-16(21)9-22-25/h3-9,11H,10H2,1-2H3,(H2,23,24,27,30)
InChIKey FTAGPTBDIRNXQI-UHFFFAOYSA-N
NMR Offset 14.9921
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI_21270_4472
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: 9675869; UBI_ID: UBI-004473
Temperature 313 °C