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6-(2,5-dimethoxyphenyl)-3-(3-isopropoxyphenyl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine
SpectraBase Compound ID D6u0qtqhXhu
InChI InChI=1S/C21H22N4O3S/c1-13(2)28-16-7-5-6-14(10-16)20-22-23-21-25(20)24-18(12-29-21)17-11-15(26-3)8-9-19(17)27-4/h5-11,13H,12H2,1-4H3
InChIKey BJHKYFFVKNFAFN-UHFFFAOYSA-N
Mol Weight 410.49 g/mol
Molecular Formula C21H22N4O3S
Exact Mass 410.141262 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 2SecdMysD2f
Name 6-(2,5-dimethoxyphenyl)-3-(3-isopropoxyphenyl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine
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/C21H22N4O3S/c1-13(2)28-16-7-5-6-14(10-16)20-22-23-21-25(20)24-18(12-29-21)17-11-15(26-3)8-9-19(17)27-4/h5-11,13H,12H2,1-4H3
InChIKey BJHKYFFVKNFAFN-UHFFFAOYSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_27186
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: D75582; Labnumber: GRESKO-6009; SBI_ID: SBI-027190
Temperature 318 °C