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5-[4-(dimethylamino)phenyl]-4-{[(E)-(2,3,4-trimethoxyphenyl)methylidene]amino}-4H-1,2,4-triazol-3-yl hydrosulfide
SpectraBase Compound ID KshaAijCVOG
InChI InChI=1S/C20H23N5O3S/c1-24(2)15-9-6-13(7-10-15)19-22-23-20(29)25(19)21-12-14-8-11-16(26-3)18(28-5)17(14)27-4/h6-12H,1-5H3,(H,23,29)/b21-12+
InChIKey QJTCRFVPQJGMJB-CIAFOILYSA-N
Mol Weight 413.5 g/mol
Molecular Formula C20H23N5O3S
Exact Mass 413.152161 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 9OvS5dksJV2
Name 5-[4-(dimethylamino)phenyl]-4-{[(E)-(2,3,4-trimethoxyphenyl)methylidene]amino}-4H-1,2,4-triazol-3-yl hydrosulfide
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/C20H23N5O3S/c1-24(2)15-9-6-13(7-10-15)19-22-23-20(29)25(19)21-12-14-8-11-16(26-3)18(28-5)17(14)27-4/h6-12H,1-5H3,(H,23,29)/b21-12+
InChIKey QJTCRFVPQJGMJB-CIAFOILYSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_16447
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: D25302; Labnumber: GRES-03368; SBI_ID: SBI-016450
Synonyms 5-[4-(dimethylamino)phenyl]-4-{[(E)-(2,3,4-trimethoxyphenyl)methylidene]amino}-4H-1,2,4-triazole-3-thiol5-[4-(dimethylamino)phenyl]-4-{[(2,3,4-trimethoxyphenyl)methylidene]amino}-4H-1,2,4-triazol-3-yl hydrosulfide
Temperature 318 °C