For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.
benzothiazole, 2-[2-[3-(4-chlorophenyl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]phenyl]-
SpectraBase Compound ID IgJN9IAtktR
InChI InChI=1S/C22H12ClN5S2/c23-14-11-9-13(10-12-14)19-25-26-22-28(19)27-21(30-22)16-6-2-1-5-15(16)20-24-17-7-3-4-8-18(17)29-20/h1-12H
InChIKey MCJIPXAIZZYVJK-UHFFFAOYSA-N
Mol Weight 445.95 g/mol
Molecular Formula C22H12ClN5S2
Exact Mass 445.022265 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID X2R6Q8vJ9A
Name benzothiazole, 2-[2-[3-(4-chlorophenyl)[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/C22H12ClN5S2/c23-14-11-9-13(10-12-14)19-25-26-22-28(19)27-21(30-22)16-6-2-1-5-15(16)20-24-17-7-3-4-8-18(17)29-20/h1-12H
InChIKey MCJIPXAIZZYVJK-UHFFFAOYSA-N
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Origin 1H_ASIOH_7529_3544
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: NMR/17217278; Labnumber: OBK-7921