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[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole, 6-[(2-chlorophenoxy)methyl]-3-[3-(2-methylpropyl)-1H-pyrazol-5-yl]-
SpectraBase Compound ID LFrfPqqhREi
InChI InChI=1S/C17H17ClN6OS/c1-10(2)7-11-8-13(20-19-11)16-21-22-17-24(16)23-15(26-17)9-25-14-6-4-3-5-12(14)18/h3-6,8,10H,7,9H2,1-2H3,(H,19,20)
InChIKey WRDADHKFTVPXOC-UHFFFAOYSA-N
Mol Weight 388.88 g/mol
Molecular Formula C17H17ClN6OS
Exact Mass 388.087308 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 390ark5v4Vf
Name [1,2,4]triazolo[3,4-b][1,3,4]thiadiazole, 6-[(2-chlorophenoxy)methyl]-3-[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/C17H17ClN6OS/c1-10(2)7-11-8-13(20-19-11)16-21-22-17-24(16)23-15(26-17)9-25-14-6-4-3-5-12(14)18/h3-6,8,10H,7,9H2,1-2H3,(H,19,20)
InChIKey WRDADHKFTVPXOC-UHFFFAOYSA-N
NMR Offset 15.5012
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_11628_10900
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: F40663; Labnumber: BAL4-7220
Temperature 315 °C