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quinoline, 2-[3-(1,3-benzodioxol-5-yl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]-6-methoxy-
SpectraBase Compound ID CRM52vSPSpO
InChI InChI=1S/C20H13N5O3S/c1-26-13-4-6-14-11(8-13)2-5-15(21-14)19-24-25-18(22-23-20(25)29-19)12-3-7-16-17(9-12)28-10-27-16/h2-9H,10H2,1H3
InChIKey HXRPRBUOFHTWFF-UHFFFAOYSA-N
Mol Weight 403.42 g/mol
Molecular Formula C20H13N5O3S
Exact Mass 403.07391 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 3aBY1bgvqca
Name quinoline, 2-[3-(1,3-benzodioxol-5-yl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]-6-methoxy-
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/C20H13N5O3S/c1-26-13-4-6-14-11(8-13)2-5-15(21-14)19-24-25-18(22-23-20(25)29-19)12-3-7-16-17(9-12)28-10-27-16/h2-9H,10H2,1H3
InChIKey HXRPRBUOFHTWFF-UHFFFAOYSA-N
NMR Offset 15.5012
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_11628_11360
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: F42897; Labnumber: NNOBK-10634
Temperature 315 °C