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4-methyl-3-[(4-nitrobenzyl)sulfanyl]-5-phenyl-4H-1,2,4-triazole
SpectraBase Compound ID 1geK5qtdAJO
InChI InChI=1S/C16H14N4O2S/c1-19-15(13-5-3-2-4-6-13)17-18-16(19)23-11-12-7-9-14(10-8-12)20(21)22/h2-10H,11H2,1H3
InChIKey YSWSUZCEBFYVND-UHFFFAOYSA-N
Mol Weight 326.37 g/mol
Molecular Formula C16H14N4O2S
Exact Mass 326.083747 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID KFXGAwo35yF
Name 4-methyl-3-[(4-nitrobenzyl)sulfanyl]-5-phenyl-4H-1,2,4-triazole
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/C16H14N4O2S/c1-19-15(13-5-3-2-4-6-13)17-18-16(19)23-11-12-7-9-14(10-8-12)20(21)22/h2-10H,11H2,1H3
InChIKey YSWSUZCEBFYVND-UHFFFAOYSA-N
NMR Offset 15.3537
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_4952
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: E08416; Labnumber: GRES-37036; SBI_ID: SBI-004954
Synonyms 4-methyl-5-phenyl-4H-1,2,4-triazol-3-yl 4-nitrobenzyl sulfide
Temperature 308 °C