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3-(methylsulfanyl)-N-[(E)-(3,4,5-trimethoxyphenyl)methylidene]-4H-1,2,4-triazol-4-amine
SpectraBase Compound ID LagfNtn56em
InChI InChI=1S/C13H16N4O3S/c1-18-10-5-9(6-11(19-2)12(10)20-3)7-15-17-8-14-16-13(17)21-4/h5-8H,1-4H3/b15-7+
InChIKey XJZPVBHXMZGWCX-VIZOYTHASA-N
Mol Weight 308.36 g/mol
Molecular Formula C13H16N4O3S
Exact Mass 308.094312 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 5IdKnqYOG0g
Name 3-(methylsulfanyl)-N-[(E)-(3,4,5-trimethoxyphenyl)methylidene]-4H-1,2,4-triazol-4-amine
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/C13H16N4O3S/c1-18-10-5-9(6-11(19-2)12(10)20-3)7-15-17-8-14-16-13(17)21-4/h5-8H,1-4H3/b15-7+
InChIKey XJZPVBHXMZGWCX-VIZOYTHASA-N
NMR Offset 18.0059
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_31228
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: 1748086; SBI_ID: SBI-031232
Synonyms N-[3-(methylsulfanyl)-4H-1,2,4-triazol-4-yl]-N-[(E)-(3,4,5-trimethoxyphenyl)methylidene]amine3-(methylsulfanyl)-N-[(3,4,5-trimethoxyphenyl)methylidene]-4H-1,2,4-triazol-4-amine
Temperature 306 °C