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N-[3-(aminocarbonyl)-4,5,6,7-tetrahydro-1-benzothien-2-yl]-4-bromo-1-methyl-3-(trifluoromethyl)-1H-pyrazole-5-carboxamide

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N-[3-(aminocarbonyl)-4,5,6,7-tetrahydro-1-benzothien-2-yl]-4-bromo-1-methyl-3-(trifluoromethyl)-1H-pyrazole-5-carboxamide
SpectraBase Compound ID 12dpndyxU4s
InChI InChI=1S/C15H14BrF3N4O2S/c1-23-10(9(16)11(22-23)15(17,18)19)13(25)21-14-8(12(20)24)6-4-2-3-5-7(6)26-14/h2-5H2,1H3,(H2,20,24)(H,21,25)
InChIKey REANLNLVBIOGCT-UHFFFAOYSA-N
Mol Weight 451.26 g/mol
Molecular Formula C15H14BrF3N4O2S
Exact Mass 449.997294 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID AdyUL2yjTS8
Name N-[3-(aminocarbonyl)-4,5,6,7-tetrahydro-1-benzothien-2-yl]-4-bromo-1-methyl-3-(trifluoromethyl)-1H-pyrazole-5-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/C15H14BrF3N4O2S/c1-23-10(9(16)11(22-23)15(17,18)19)13(25)21-14-8(12(20)24)6-4-2-3-5-7(6)26-14/h2-5H2,1H3,(H2,20,24)(H,21,25)
InChIKey REANLNLVBIOGCT-UHFFFAOYSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UZI_26187_1018
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/1175526; Labnumber: AC-NHALL/0422951; UZI_ID: UZI-001020
Temperature 318 °C