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[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole, 3-[[(4-chlorophenyl)thio]methyl]-6-[3-(2-methylpropyl)-1H-pyrazol-5-yl]-
SpectraBase Compound ID c9FOPIseun
InChI InChI=1S/C17H17ClN6S2/c1-10(2)7-12-8-14(20-19-12)16-23-24-15(21-22-17(24)26-16)9-25-13-5-3-11(18)4-6-13/h3-6,8,10H,7,9H2,1-2H3,(H,19,20)
InChIKey SDVJGFDZPMKPSH-UHFFFAOYSA-N
Mol Weight 404.94 g/mol
Molecular Formula C17H17ClN6S2
Exact Mass 404.064465 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID BcoGJKvpEDM
Name [1,2,4]triazolo[3,4-b][1,3,4]thiadiazole, 3-[[(4-chlorophenyl)thio]methyl]-6-[3-(2-methylpropyl)-1H-pyrazol-5-yl]-
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/C17H17ClN6S2/c1-10(2)7-12-8-14(20-19-12)16-23-24-15(21-22-17(24)26-16)9-25-13-5-3-11(18)4-6-13/h3-6,8,10H,7,9H2,1-2H3,(H,19,20)
InChIKey SDVJGFDZPMKPSH-UHFFFAOYSA-N
NMR Offset 15.5012
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_11628_10918
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: F40704; Labnumber: BAL4-9398
Temperature 315 °C