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5-[(4-methoxyanilino)methyl]-4-phenyl-2,4-dihydro-3H-1,2,4-triazole-3-thione
SpectraBase Compound ID 8Q4oln8H9Mk
InChI InChI=1S/C16H16N4OS/c1-21-14-9-7-12(8-10-14)17-11-15-18-19-16(22)20(15)13-5-3-2-4-6-13/h2-10,17H,11H2,1H3,(H,19,22)
InChIKey XOJGKXJZIAJNOB-UHFFFAOYSA-N
Mol Weight 312.39 g/mol
Molecular Formula C16H16N4OS
Exact Mass 312.104482 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID EXBYcgcZDS1
Name 5-[(4-methoxyanilino)methyl]-4-phenyl-2,4-dihydro-3H-1,2,4-triazole-3-thione
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/C16H16N4OS/c1-21-14-9-7-12(8-10-14)17-11-15-18-19-16(22)20(15)13-5-3-2-4-6-13/h2-10,17H,11H2,1H3,(H,19,22)
InChIKey XOJGKXJZIAJNOB-UHFFFAOYSA-N
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Origin 1H_ASIOH_7000_5490
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: NMR/11221687; Labnumber: 0638; IOH_ID: IOH-005491