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6-{3-[(4-bromo-3-nitro-1H-pyrazol-1-yl)methyl]phenyl}[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
SpectraBase Compound ID 5jW44PLHFh3
InChI InChI=1S/C13H8BrN7O2S/c14-10-6-19(17-11(10)21(22)23)5-8-2-1-3-9(4-8)12-18-20-7-15-16-13(20)24-12/h1-4,6-7H,5H2
InChIKey ZWNOAXPJVXOHCY-UHFFFAOYSA-N
Mol Weight 406.22 g/mol
Molecular Formula C13H8BrN7O2S
Exact Mass 404.964357 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID Gcyp3ydxFLI
Name 6-{3-[(4-bromo-3-nitro-1H-pyrazol-1-yl)methyl]phenyl}[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/C13H8BrN7O2S/c14-10-6-19(17-11(10)21(22)23)5-8-2-1-3-9(4-8)12-18-20-7-15-16-13(20)24-12/h1-4,6-7H,5H2
InChIKey ZWNOAXPJVXOHCY-UHFFFAOYSA-N
NMR Offset 19.5782
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_33798
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: 1996564; SBI_ID: SBI-033802
Temperature 315 °C