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benzothiazole, 2-[2-[3-(4-pyridinyl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]phenyl]-
SpectraBase Compound ID 3EQJI6Qg5MI
InChI InChI=1S/C21H12N6S2/c1-2-6-15(14(5-1)19-23-16-7-3-4-8-17(16)28-19)20-26-27-18(24-25-21(27)29-20)13-9-11-22-12-10-13/h1-12H
InChIKey VCSHNUXRGMXSNK-UHFFFAOYSA-N
Mol Weight 412.49 g/mol
Molecular Formula C21H12N6S2
Exact Mass 412.056487 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID Ilc8xxBEV2V
Name benzothiazole, 2-[2-[3-(4-pyridinyl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]phenyl]-
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/C21H12N6S2/c1-2-6-15(14(5-1)19-23-16-7-3-4-8-17(16)28-19)20-26-27-18(24-25-21(27)29-20)13-9-11-22-12-10-13/h1-12H
InChIKey VCSHNUXRGMXSNK-UHFFFAOYSA-N
NMR Offset 15.449
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_11628_287
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: F03890; Labnumber: NNOBK-8280
Temperature 308 °C