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N-{4-[(4-bromo-1H-pyrazol-1-yl)methyl]benzoyl}-N'-(4-nitrophenyl)thiourea
SpectraBase Compound ID CbetcfGrlnv
InChI InChI=1S/C18H14BrN5O3S/c19-14-9-20-23(11-14)10-12-1-3-13(4-2-12)17(25)22-18(28)21-15-5-7-16(8-6-15)24(26)27/h1-9,11H,10H2,(H2,21,22,25,28)
InChIKey AMBSIBPDMDFVTA-UHFFFAOYSA-N
Mol Weight 460.31 g/mol
Molecular Formula C18H14BrN5O3S
Exact Mass 459.000074 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID EHUyaD9j9cx
Name N-{4-[(4-bromo-1H-pyrazol-1-yl)methyl]benzoyl}-N'-(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/C18H14BrN5O3S/c19-14-9-20-23(11-14)10-12-1-3-13(4-2-12)17(25)22-18(28)21-15-5-7-16(8-6-15)24(26)27/h1-9,11H,10H2,(H2,21,22,25,28)
InChIKey AMBSIBPDMDFVTA-UHFFFAOYSA-N
NMR Offset 15.3537
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI_21270_6949
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: 9686854; UBI_ID: UBI-006951
Temperature 308 °C