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1H-isoindole-1,3(2H)-dione, 2-[5-[3-(5-bromo-3-pyridinyl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]pentyl]-
SpectraBase Compound ID HfovLIA8gin
InChI InChI=1S/C21H17BrN6O2S/c22-14-10-13(11-23-12-14)18-24-25-21-28(18)26-17(31-21)8-2-1-5-9-27-19(29)15-6-3-4-7-16(15)20(27)30/h3-4,6-7,10-12H,1-2,5,8-9H2
InChIKey RMOKSAUXQDDWEH-UHFFFAOYSA-N
Mol Weight 497.37 g/mol
Molecular Formula C21H17BrN6O2S
Exact Mass 496.031708 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID KgpsUam16xG
Name 1H-isoindole-1,3(2H)-dione, 2-[5-[3-(5-bromo-3-pyridinyl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]pentyl]-
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/C21H17BrN6O2S/c22-14-10-13(11-23-12-14)18-24-25-21-28(18)26-17(31-21)8-2-1-5-9-27-19(29)15-6-3-4-7-16(15)20(27)30/h3-4,6-7,10-12H,1-2,5,8-9H2
InChIKey RMOKSAUXQDDWEH-UHFFFAOYSA-N
NMR Offset 15.5012
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_11628_9932
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: F36486; Labnumber: BAL4-7811