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[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole, 3-[3-(2-methylpropyl)-1H-pyrazol-5-yl]-6-[(2-naphthalenyloxy)methyl]-
SpectraBase Compound ID 3wdHmvmn2GG
InChI InChI=1S/C21H20N6OS/c1-13(2)9-16-11-18(23-22-16)20-24-25-21-27(20)26-19(29-21)12-28-17-8-7-14-5-3-4-6-15(14)10-17/h3-8,10-11,13H,9,12H2,1-2H3,(H,22,23)
InChIKey MPNGRVIYACGKLJ-UHFFFAOYSA-N
Mol Weight 404.49 g/mol
Molecular Formula C21H20N6OS
Exact Mass 404.14193 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 824uQmSwpJ6
Name [1,2,4]triazolo[3,4-b][1,3,4]thiadiazole, 3-[3-(2-methylpropyl)-1H-pyrazol-5-yl]-6-[(2-naphthalenyloxy)methyl]-
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/C21H20N6OS/c1-13(2)9-16-11-18(23-22-16)20-24-25-21-27(20)26-19(29-21)12-28-17-8-7-14-5-3-4-6-15(14)10-17/h3-8,10-11,13H,9,12H2,1-2H3,(H,22,23)
InChIKey MPNGRVIYACGKLJ-UHFFFAOYSA-N
NMR Offset 15.5012
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_11628_10901
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: F40669; Labnumber: BAL4-7228
Temperature 315 °C