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2-[4-bromo-5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]-N-(6-tert-butyl-3-cyano-4,5,6,7-tetrahydro-1-benzothien-2-yl)acetamide

View entire compound with spectra: 1 NMR

2-[4-bromo-5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]-N-(6-tert-butyl-3-cyano-4,5,6,7-tetrahydro-1-benzothien-2-yl)acetamide
SpectraBase Compound ID 2zQmnw3ji64
InChI InChI=1S/C20H22BrF3N4OS/c1-10-16(21)17(20(22,23)24)27-28(10)9-15(29)26-18-13(8-25)12-6-5-11(19(2,3)4)7-14(12)30-18/h11H,5-7,9H2,1-4H3,(H,26,29)
InChIKey IBLBLGYRCZFBFN-UHFFFAOYSA-N
Mol Weight 503.38 g/mol
Molecular Formula C20H22BrF3N4OS
Exact Mass 502.06498 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 5jQqfxgrINg
Name 2-[4-bromo-5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]-N-(6-tert-butyl-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/C20H22BrF3N4OS/c1-10-16(21)17(20(22,23)24)27-28(10)9-15(29)26-18-13(8-25)12-6-5-11(19(2,3)4)7-14(12)30-18/h11H,5-7,9H2,1-4H3,(H,26,29)
InChIKey IBLBLGYRCZFBFN-UHFFFAOYSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UZI_26187_9558
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/8050113; Labnumber: IDV-0004338; UZI_ID: UZI-009560
Temperature 318 °C