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1-methyl-N-(2-methyl-4-oxo-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-3(4H)-yl)-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide

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1-methyl-N-(2-methyl-4-oxo-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-3(4H)-yl)-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide
SpectraBase Compound ID EvEjD3wzhjo
InChI InChI=1S/C17H16F3N5O2S/c1-8-21-15-13(9-5-3-4-6-11(9)28-15)16(27)25(8)23-14(26)10-7-12(17(18,19)20)24(2)22-10/h7H,3-6H2,1-2H3,(H,23,26)
InChIKey REOOOYSGCFQTFK-UHFFFAOYSA-N
Mol Weight 411.4 g/mol
Molecular Formula C17H16F3N5O2S
Exact Mass 411.09768 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 9xLEVAduWar
Name 1-methyl-N-(2-methyl-4-oxo-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-3(4H)-yl)-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/C17H16F3N5O2S/c1-8-21-15-13(9-5-3-4-6-11(9)28-15)16(27)25(8)23-14(26)10-7-12(17(18,19)20)24(2)22-10/h7H,3-6H2,1-2H3,(H,23,26)
InChIKey REOOOYSGCFQTFK-UHFFFAOYSA-N
NMR Offset 15.449
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UZI_26187_1121
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/1193649; Labnumber: AC-NHALL/0703954; UZI_ID: UZI-001123
Temperature 313 °C