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

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5-TERT.-BUTYL-1-(PROP-2-YNYL)-3-(PROP-2-YNYLTHIO)-1H-1,2,4-TRIAZOLE
SpectraBase Compound ID 15kykuMSOgg
InChI InChI=1S/C12H15N3S/c1-6-8-15-10(12(3,4)5)13-11(14-15)16-9-7-2/h1-2H,8-9H2,3-5H3
InChIKey XDAHCGCDRNAFPU-UHFFFAOYSA-N
Mol Weight 233.33 g/mol
Molecular Formula C12H15N3S
Exact Mass 233.098669 g/mol

15N Nuclear Magnetic Resonance (NMR) Chemical Shifts

15N Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID ESuT6YXsvcL
Name 5-TERT.-BUTYL-1-(PROP-2-YN-YL)-3-(PROP-2-YN-YL-THIO)-1H-1,2,4-TRIAZOLE;R1=T-BU
Compound Number 3A
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C12H15N3S
InChI InChI=1S/C12H15N3S/c1-6-8-15-10(12(3,4)5)13-11(14-15)16-9-7-2/h1-2H,8-9H2,3-5H3
InChIKey XDAHCGCDRNAFPU-UHFFFAOYSA-N
Literature Reference Author U.D.PHALGUNE,K.VANKA,P.R.RAJAMOHANAN
Literature Reference Citation MAGN.RES.CHEM.,51,767(2013)
Literature Reference DOI 10.1002/mrc.4012
Solvent CDCl3
Source File Reference UWIR13275