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N-(2-bromo-4-methylphenyl)-N'-{4-[(4-bromo-1H-pyrazol-1-yl)methyl]benzoyl}thiourea
SpectraBase Compound ID 6trfKXNtULd
InChI InChI=1S/C19H16Br2N4OS/c1-12-2-7-17(16(21)8-12)23-19(27)24-18(26)14-5-3-13(4-6-14)10-25-11-15(20)9-22-25/h2-9,11H,10H2,1H3,(H2,23,24,26,27)
InChIKey YXOJZLIZTBMRLH-UHFFFAOYSA-N
Mol Weight 508.23 g/mol
Molecular Formula C19H16Br2N4OS
Exact Mass 505.941158 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID DU2qJe8GsJG
Name N-(2-bromo-4-methylphenyl)-N'-{4-[(4-bromo-1H-pyrazol-1-yl)methyl]benzoyl}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/C19H16Br2N4OS/c1-12-2-7-17(16(21)8-12)23-19(27)24-18(26)14-5-3-13(4-6-14)10-25-11-15(20)9-22-25/h2-9,11H,10H2,1H3,(H2,23,24,26,27)
InChIKey YXOJZLIZTBMRLH-UHFFFAOYSA-N
NMR Offset 14.9921
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI_21270_4476
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: 9684153; UBI_ID: UBI-004477
Temperature 313 °C