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4-{4-methyl-5-[(2-methylbenzyl)sulfanyl]-4H-1,2,4-triazol-3-yl}pyridine
SpectraBase Compound ID BAtVHbVZVUd
InChI InChI=1S/C16H16N4S/c1-12-5-3-4-6-14(12)11-21-16-19-18-15(20(16)2)13-7-9-17-10-8-13/h3-10H,11H2,1-2H3
InChIKey CHACNDPGUHPQGS-UHFFFAOYSA-N
Mol Weight 296.39 g/mol
Molecular Formula C16H16N4S
Exact Mass 296.109568 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 3JfRWi5tzgd
Name 4-{4-methyl-5-[(2-methylbenzyl)sulfanyl]-4H-1,2,4-triazol-3-yl}pyridine
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/C16H16N4S/c1-12-5-3-4-6-14(12)11-21-16-19-18-15(20(16)2)13-7-9-17-10-8-13/h3-10H,11H2,1-2H3
InChIKey CHACNDPGUHPQGS-UHFFFAOYSA-N
NMR Offset 15.5012
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_4877
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: E08297; Labnumber: GRES-36893; SBI_ID: SBI-004879
Synonyms 2-methylbenzyl 4-methyl-5-(4-pyridinyl)-4H-1,2,4-triazol-3-yl sulfide
Temperature 315 °C