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quinoline, 2-[3-[(3,4-dimethoxyphenyl)methyl][1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]-
SpectraBase Compound ID GxyDgR0Yuha
InChI InChI=1S/C21H17N5O2S/c1-27-17-10-7-13(11-18(17)28-2)12-19-23-24-21-26(19)25-20(29-21)16-9-8-14-5-3-4-6-15(14)22-16/h3-11H,12H2,1-2H3
InChIKey MTGGEWPIZCGNOA-UHFFFAOYSA-N
Mol Weight 403.46 g/mol
Molecular Formula C21H17N5O2S
Exact Mass 403.110296 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID JKbPWrVtQFv
Name quinoline, 2-[3-[(3,4-dimethoxyphenyl)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/C21H17N5O2S/c1-27-17-10-7-13(11-18(17)28-2)12-19-23-24-21-26(19)25-20(29-21)16-9-8-14-5-3-4-6-15(14)22-16/h3-11H,12H2,1-2H3
InChIKey MTGGEWPIZCGNOA-UHFFFAOYSA-N
NMR Offset 15.5012
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_11628_7994
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: F31393; Labnumber: BAL4-9796