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2-[4-bromo-5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]-N-(3-cyano-4,5,6,7-tetrahydro-1-benzothien-2-yl)acetamide
SpectraBase Compound ID 50GJ8ot7Vwr
InChI InChI=1S/C16H14BrF3N4OS/c1-8-13(17)14(16(18,19)20)23-24(8)7-12(25)22-15-10(6-21)9-4-2-3-5-11(9)26-15/h2-5,7H2,1H3,(H,22,25)
InChIKey GVPMAKLVMHCUGQ-UHFFFAOYSA-N
Mol Weight 447.27 g/mol
Molecular Formula C16H14BrF3N4OS
Exact Mass 446.00238 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID DjpS3juqHKV
Name 2-[4-bromo-5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]-N-(3-cyano-4,5,6,7-tetrahydro-1-benzothien-2-yl)acetamide
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/C16H14BrF3N4OS/c1-8-13(17)14(16(18,19)20)23-24(8)7-12(25)22-15-10(6-21)9-4-2-3-5-11(9)26-15/h2-5,7H2,1H3,(H,22,25)
InChIKey GVPMAKLVMHCUGQ-UHFFFAOYSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UZI_26187_9445
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/8019682; Labnumber: IDV-0000729; UZI_ID: UZI-009447
Temperature 318 °C