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3-(4-chlorophenyl)-6-(phenoxymethyl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
SpectraBase Compound ID 8q92p1XaH2w
InChI InChI=1S/C16H11ClN4OS/c17-12-8-6-11(7-9-12)15-18-19-16-21(15)20-14(23-16)10-22-13-4-2-1-3-5-13/h1-9H,10H2
InChIKey PHEKOOLTSWRPLB-UHFFFAOYSA-N
Mol Weight 342.8 g/mol
Molecular Formula C16H11ClN4OS
Exact Mass 342.03421 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 2ClgpLYVy6i
Name 3-(4-chlorophenyl)-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/C16H11ClN4OS/c17-12-8-6-11(7-9-12)15-18-19-16-21(15)20-14(23-16)10-22-13-4-2-1-3-5-13/h1-9H,10H2
InChIKey PHEKOOLTSWRPLB-UHFFFAOYSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_6238
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: D13909; Labnumber: UDSG-00088; SBI_ID: SBI-006241
Synonyms [3-(4-chlorophenyl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]methyl phenyl ether
Temperature 318 °C