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1H-indole, 3-[3-[[(4-chlorophenyl)thio]methyl][1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]-
SpectraBase Compound ID CB1DwM9JcKp
InChI InChI=1S/C18H12ClN5S2/c19-11-5-7-12(8-6-11)25-10-16-21-22-18-24(16)23-17(26-18)14-9-20-15-4-2-1-3-13(14)15/h1-9,20H,10H2
InChIKey RJDSMGLMQVGQFE-UHFFFAOYSA-N
Mol Weight 397.9 g/mol
Molecular Formula C18H12ClN5S2
Exact Mass 397.022265 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID GyLaqclZT7V
Name 1H-indole, 3-[3-[[(4-chlorophenyl)thio]methyl][1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-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/C18H12ClN5S2/c19-11-5-7-12(8-6-11)25-10-16-21-22-18-24(16)23-17(26-18)14-9-20-15-4-2-1-3-13(14)15/h1-9,20H,10H2
InChIKey RJDSMGLMQVGQFE-UHFFFAOYSA-N
NMR Offset 15.5012
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_11628_10908
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: F40680; Labnumber: BAL4-8553
Temperature 315 °C