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2-{2-[4-(2,5-dimethoxyphenyl)-5-sulfanyl-4H-1,2,4-triazol-3-yl]ethyl}-1(2H)-phthalazinone
SpectraBase Compound ID 69MjA2TghK
InChI InChI=1S/C20H19N5O3S/c1-27-14-7-8-17(28-2)16(11-14)25-18(22-23-20(25)29)9-10-24-19(26)15-6-4-3-5-13(15)12-21-24/h3-8,11-12H,9-10H2,1-2H3,(H,23,29)
InChIKey MIOPSUQLZCMYRC-UHFFFAOYSA-N
Mol Weight 409.46 g/mol
Molecular Formula C20H19N5O3S
Exact Mass 409.120861 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID DQdABqaZXfA
Name 2-{2-[4-(2,5-dimethoxyphenyl)-5-sulfanyl-4H-1,2,4-triazol-3-yl]ethyl}-1(2H)-phthalazinone
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/C20H19N5O3S/c1-27-14-7-8-17(28-2)16(11-14)25-18(22-23-20(25)29)9-10-24-19(26)15-6-4-3-5-13(15)12-21-24/h3-8,11-12H,9-10H2,1-2H3,(H,23,29)
InChIKey MIOPSUQLZCMYRC-UHFFFAOYSA-N
NMR Offset 15.449
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_35834
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: E94385; SBI_ID: SBI-035838
Temperature 308 °C