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5-(2-methoxyphenyl)-4-{[(E)-(3-methylphenyl)methylidene]amino}-4H-1,2,4-triazole-3-thiol
SpectraBase Compound ID DMKvAGFP90Q
InChI InChI=1S/C17H16N4OS/c1-12-6-5-7-13(10-12)11-18-21-16(19-20-17(21)23)14-8-3-4-9-15(14)22-2/h3-11H,1-2H3,(H,20,23)/b18-11+
InChIKey SHFDFFMTAMKRIA-WOJGMQOQSA-N
Mol Weight 324.4 g/mol
Molecular Formula C17H16N4OS
Exact Mass 324.104482 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID FuQz6OpuXR9
Name 5-(2-methoxyphenyl)-4-{[(E)-(3-methylphenyl)methylidene]amino}-4H-1,2,4-triazole-3-thiol
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/C17H16N4OS/c1-12-6-5-7-13(10-12)11-18-21-16(19-20-17(21)23)14-8-3-4-9-15(14)22-2/h3-11H,1-2H3,(H,20,23)/b18-11+
InChIKey SHFDFFMTAMKRIA-WOJGMQOQSA-N
NMR Offset 15.5012
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_16894
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: D25197; Labnumber: GRES-03245; SBI_ID: SBI-016897
Synonyms 5-(2-methoxyphenyl)-4-{[(E)-(3-methylphenyl)methylidene]amino}-4H-1,2,4-triazol-3-yl hydrosulfide5-(2-methoxyphenyl)-4-{[(3-methylphenyl)methylidene]amino}-4H-1,2,4-triazole-3-thiol
Temperature 315 °C