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2-[4-bromo-5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]-N-(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thien-2-yl)acetamide

View entire compound with spectra: 1 NMR

2-[4-bromo-5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]-N-(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thien-2-yl)acetamide
SpectraBase Compound ID 42YR2WcD7FK
InChI InChI=1S/C17H16BrF3N4OS/c1-9-14(18)15(17(19,20)21)24-25(9)8-13(26)23-16-11(7-22)10-5-3-2-4-6-12(10)27-16/h2-6,8H2,1H3,(H,23,26)
InChIKey XRTWLQARXCHIKZ-UHFFFAOYSA-N
Mol Weight 461.3 g/mol
Molecular Formula C17H16BrF3N4OS
Exact Mass 460.01803 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID BHvIt8arPYR
Name 2-[4-bromo-5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]-N-(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thien-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/C17H16BrF3N4OS/c1-9-14(18)15(17(19,20)21)24-25(9)8-13(26)23-16-11(7-22)10-5-3-2-4-6-12(10)27-16/h2-6,8H2,1H3,(H,23,26)
InChIKey XRTWLQARXCHIKZ-UHFFFAOYSA-N
NMR Offset 14.9921
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI_21270_3625
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/8098312; UBI_ID: UBI-003626
Temperature 313 °C