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6-{[4-bromo-5-cyclopropyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]methyl}-3-(2-thienyl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole

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6-{[4-bromo-5-cyclopropyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]methyl}-3-(2-thienyl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
SpectraBase Compound ID I9ww21VmICk
InChI InChI=1S/C15H10BrF3N6S2/c16-10-11(7-3-4-7)24(23-12(10)15(17,18)19)6-9-22-25-13(8-2-1-5-26-8)20-21-14(25)27-9/h1-2,5,7H,3-4,6H2
InChIKey WBFJDOKMBKBOEG-UHFFFAOYSA-N
Mol Weight 475.31 g/mol
Molecular Formula C15H10BrF3N6S2
Exact Mass 473.954384 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID Gm23432AxNN
Name 6-{[4-bromo-5-cyclopropyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]methyl}-3-(2-thienyl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
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/C15H10BrF3N6S2/c16-10-11(7-3-4-7)24(23-12(10)15(17,18)19)6-9-22-25-13(8-2-1-5-26-8)20-21-14(25)27-9/h1-2,5,7H,3-4,6H2
InChIKey WBFJDOKMBKBOEG-UHFFFAOYSA-N
NMR Offset 17.9126
NMR Spectrometer Frequency 500.077
Observed nucleus 1H
Origin 1H_SBI_36227_33809
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: 1996576; SBI_ID: SBI-033813
Temperature 303 °C