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4-bromo-N-(2,6-dimethyl-4-oxothieno[2,3-d]pyrimidin-3(4H)-yl)-1-methyl-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide
SpectraBase Compound ID 7xl22RtYwvV
InChI InChI=1S/C14H11BrF3N5O2S/c1-5-4-7-12(26-5)19-6(2)23(13(7)25)21-11(24)9-8(15)10(14(16,17)18)22(3)20-9/h4H,1-3H3,(H,21,24)
InChIKey GMDRNNOTADCDDS-UHFFFAOYSA-N
Mol Weight 450.23 g/mol
Molecular Formula C14H11BrF3N5O2S
Exact Mass 448.976893 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 8TQNMWuEtZI
Name 4-bromo-N-(2,6-dimethyl-4-oxothieno[2,3-d]pyrimidin-3(4H)-yl)-1-methyl-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide
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/C14H11BrF3N5O2S/c1-5-4-7-12(26-5)19-6(2)23(13(7)25)21-11(24)9-8(15)10(14(16,17)18)22(3)20-9/h4H,1-3H3,(H,21,24)
InChIKey GMDRNNOTADCDDS-UHFFFAOYSA-N
NMR Offset 15.449
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UZI_26187_1087
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: UZI/1158324; Labnumber: AC-NHALL/0695085; UZI_ID: UZI-001089
Temperature 313 °C