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N-(4-acetylphenyl)-N'-{4-[(4-bromo-1H-pyrazol-1-yl)methyl]benzoyl}thiourea
SpectraBase Compound ID J6RmObq6UCJ
InChI InChI=1S/C20H17BrN4O2S/c1-13(26)15-6-8-18(9-7-15)23-20(28)24-19(27)16-4-2-14(3-5-16)11-25-12-17(21)10-22-25/h2-10,12H,11H2,1H3,(H2,23,24,27,28)
InChIKey SFCYMSOBYZWFLY-UHFFFAOYSA-N
Mol Weight 457.35 g/mol
Molecular Formula C20H17BrN4O2S
Exact Mass 456.02556 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 41RLbs7Tge9
Name N-(4-acetylphenyl)-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/C20H17BrN4O2S/c1-13(26)15-6-8-18(9-7-15)23-20(28)24-19(27)16-4-2-14(3-5-16)11-25-12-17(21)10-22-25/h2-10,12H,11H2,1H3,(H2,23,24,27,28)
InChIKey SFCYMSOBYZWFLY-UHFFFAOYSA-N
NMR Offset 14.9921
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI_21270_4465
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: 9680514; UBI_ID: UBI-004466
Temperature 313 °C