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N-{4-[(4-bromo-1H-pyrazol-1-yl)methyl]benzoyl}-N'-(2-chloro-4-nitrophenyl)thiourea
SpectraBase Compound ID 8rub2R3f1j9
InChI InChI=1S/C18H13BrClN5O3S/c19-13-8-21-24(10-13)9-11-1-3-12(4-2-11)17(26)23-18(29)22-16-6-5-14(25(27)28)7-15(16)20/h1-8,10H,9H2,(H2,22,23,26,29)
InChIKey CGBMKGYLLPJXQN-UHFFFAOYSA-N
Mol Weight 494.75 g/mol
Molecular Formula C18H13BrClN5O3S
Exact Mass 492.961101 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID ELFRfTdLn7c
Name N-{4-[(4-bromo-1H-pyrazol-1-yl)methyl]benzoyl}-N'-(2-chloro-4-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/C18H13BrClN5O3S/c19-13-8-21-24(10-13)9-11-1-3-12(4-2-11)17(26)23-18(29)22-16-6-5-14(25(27)28)7-15(16)20/h1-8,10H,9H2,(H2,22,23,26,29)
InChIKey CGBMKGYLLPJXQN-UHFFFAOYSA-N
NMR Offset 15.3537
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI_21270_10816
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: 1003102; UBI_ID: UBI-010819
Temperature 308 °C