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1H-isoindole-1,3(2H)-dione, 2-[2-[3-[(3,4-dimethoxyphenyl)methyl][1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]ethyl]-
SpectraBase Compound ID JQHlyvM1FSh
InChI InChI=1S/C22H19N5O4S/c1-30-16-8-7-13(11-17(16)31-2)12-18-23-24-22-27(18)25-19(32-22)9-10-26-20(28)14-5-3-4-6-15(14)21(26)29/h3-8,11H,9-10,12H2,1-2H3
InChIKey DGLPMKHZHQOGLK-UHFFFAOYSA-N
Mol Weight 449.49 g/mol
Molecular Formula C22H19N5O4S
Exact Mass 449.115775 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID DHHi8lSmS7W
Name 1H-isoindole-1,3(2H)-dione, 2-[2-[3-[(3,4-dimethoxyphenyl)methyl][1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]ethyl]-
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/C22H19N5O4S/c1-30-16-8-7-13(11-17(16)31-2)12-18-23-24-22-27(18)25-19(32-22)9-10-26-20(28)14-5-3-4-6-15(14)21(26)29/h3-8,11H,9-10,12H2,1-2H3
InChIKey DGLPMKHZHQOGLK-UHFFFAOYSA-N
NMR Offset 15.5012
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_11628_10008
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: F36572; Labnumber: BAL5-0934