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N-{4-[(4-bromo-1H-pyrazol-1-yl)methyl]benzoyl}-N'-(2-methyl-5-nitrophenyl)thiourea
SpectraBase Compound ID Eydi8kjKwEg
InChI InChI=1S/C19H16BrN5O3S/c1-12-2-7-16(25(27)28)8-17(12)22-19(29)23-18(26)14-5-3-13(4-6-14)10-24-11-15(20)9-21-24/h2-9,11H,10H2,1H3,(H2,22,23,26,29)
InChIKey VVOLBQGCMCWPIY-UHFFFAOYSA-N
Mol Weight 474.33 g/mol
Molecular Formula C19H16BrN5O3S
Exact Mass 473.015724 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID Jj4TbT7wp9U
Name N-{4-[(4-bromo-1H-pyrazol-1-yl)methyl]benzoyl}-N'-(2-methyl-5-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/C19H16BrN5O3S/c1-12-2-7-16(25(27)28)8-17(12)22-19(29)23-18(26)14-5-3-13(4-6-14)10-24-11-15(20)9-21-24/h2-9,11H,10H2,1H3,(H2,22,23,26,29)
InChIKey VVOLBQGCMCWPIY-UHFFFAOYSA-N
NMR Offset 14.9921
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI_21270_4471
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: 9684552; UBI_ID: UBI-004472
Temperature 313 °C