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2-{2-[3-(4-methoxyphenyl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]ethyl}-1H-isoindole-1,3(2H)-dione
SpectraBase Compound ID AARxRdujNwA
InChI InChI=1S/C20H15N5O3S/c1-28-13-8-6-12(7-9-13)17-21-22-20-25(17)23-16(29-20)10-11-24-18(26)14-4-2-3-5-15(14)19(24)27/h2-9H,10-11H2,1H3
InChIKey PNTLWNBJYQLXIQ-UHFFFAOYSA-N
Mol Weight 405.43 g/mol
Molecular Formula C20H15N5O3S
Exact Mass 405.089561 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 2ZH4l6hCD8B
Name 2-{2-[3-(4-methoxyphenyl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]ethyl}-1H-isoindole-1,3(2H)-dione
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/C20H15N5O3S/c1-28-13-8-6-12(7-9-13)17-21-22-20-25(17)23-16(29-20)10-11-24-18(26)14-4-2-3-5-15(14)19(24)27/h2-9H,10-11H2,1H3
InChIKey PNTLWNBJYQLXIQ-UHFFFAOYSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_27206
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: D75605; Labnumber: GRESKO-6033; SBI_ID: SBI-027210
Temperature 318 °C