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3-TERT.-BUTYL-5-(PROP-2-YNYLTHIO)-1H-1,2,4-TRIAZOLE

Compound with spectra: 4 NMR

3-TERT.-BUTYL-5-(PROP-2-YNYLTHIO)-1H-1,2,4-TRIAZOLE
SpectraBase Compound ID ItHMDRMvGgF
InChI InChI=1S/C9H13N3S/c1-5-6-13-8-10-7(11-12-8)9(2,3)4/h1H,6H2,2-4H3,(H,10,11,12)
InChIKey JYEKYEPJFVKJQG-UHFFFAOYSA-N
Mol Weight 195.28 g/mol
Molecular Formula C9H13N3S
Exact Mass 195.083019 g/mol

View Spectrum of 3-TERT.-BUTYL-5-(PROP-2-YNYLTHIO)-1H-1,2,4-TRIAZOLE

15N NMR Spectrum
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Solvent DMSO-D6

View Spectrum of 3-TERT.-BUTYL-5-(PROP-2-YNYLTHIO)-1H-1,2,4-TRIAZOLE

15N NMR Spectrum
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Solvent DMSO-D6

View Spectrum of 3-TERT.-BUTYL-5-(PROP-2-YNYLTHIO)-1H-1,2,4-TRIAZOLE

13C NMR Spectrum
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Solvent DMSO-D6

View Spectrum of 3-TERT.-BUTYL-5-(PROP-2-YNYLTHIO)-1H-1,2,4-TRIAZOLE

13C NMR Spectrum
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Solvent CDCl3:CD3OD
  • 3-TERT.-BUTYL-5-(PROP-2-YN-1-SULFANYL)-1H-1,2,4-TRIAZOLE;R1=T-BU
4H-1,2,4-triazole, 3-methyl-5-[(phenylmethyl)thio]-
5-tert-butyl-4-methyl-4H-1,2,4-triazole-3-thiol
3-(9-decenyl)-5-(methylsulfanyl)-1H-1,2,4-triazole
5-TERT.-BUTYL-3-(METHYLTHIO)-1,2,4-TRIAZINE
3-(1-methylcyclopropyl)-6-(methylsulfanyl)-1,2,4,5-tetraazine
4H-1,2,4-triazol-3-amine, 5-[(2-phenylethyl)thio]-
trans-5-AMINO-3-(CINNAMYLTHIO)-1H-1,2,4-TRIAZOLE
4H-1,2,4-triazol-3-ol, 5-[(phenylmethyl)thio]-
5-(benzylthio)-4H-1,2,4-triazol-3-amine
1-(PROP-2-YNYL)-3-(PROP-2-YNYLTHIO)-1H-1,2,4-TRIAZOLE
Title Journal or Book Year
GIAO/DFT studies on 1,2,4-triazole-5-thiones and their propargyl derivatives Magnetic Resonance in Chemistry 2013
Structural elucidation of propargylated products of 3-substituted-1,2,4-triazole-5-thiols by NMR techniques Magnetic Resonance in Chemistry 2008

This compound is available in the following databases:

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