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3-(4-methylphenyl)-6-(phenoxymethyl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
SpectraBase Compound ID 3lJTfccljt5
InChI InChI=1S/C17H14N4OS/c1-12-7-9-13(10-8-12)16-18-19-17-21(16)20-15(23-17)11-22-14-5-3-2-4-6-14/h2-10H,11H2,1H3
InChIKey IPRNHULSQSKJKQ-UHFFFAOYSA-N
Mol Weight 322.39 g/mol
Molecular Formula C17H14N4OS
Exact Mass 322.088832 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 5dKWJn1K9yj
Name 3-(4-methylphenyl)-6-(phenoxymethyl)[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/C17H14N4OS/c1-12-7-9-13(10-8-12)16-18-19-17-21(16)20-15(23-17)11-22-14-5-3-2-4-6-14/h2-10H,11H2,1H3
InChIKey IPRNHULSQSKJKQ-UHFFFAOYSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_19541
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: D13886; Labnumber: UDSG-00056; SBI_ID: SBI-019544
Synonyms [3-(4-methylphenyl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]methyl phenyl ether
Temperature 318 °C