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3-METHYL-5-(PROP-2-YNYLTHIO)-1H-1,2,4-TRIAZOLE
SpectraBase Compound ID IjX918Z3Am0
InChI InChI=1S/C6H7N3S/c1-3-4-10-6-7-5(2)8-9-6/h1H,4H2,2H3,(H,7,8,9)
InChIKey RQCXUAQPEWWPFG-UHFFFAOYSA-N
Mol Weight 153.2 g/mol
Molecular Formula C6H7N3S
Exact Mass 153.036068 g/mol

15N Nuclear Magnetic Resonance (NMR) Chemical Shifts

15N Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID JfBZ7wmlSPI
Name 3-METHYL-5-(PROP-2-YN-1-SULFANYL)-1H-1,2,4-TRIAZOLE;R1=ME
Compound Number 2A
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C6H7N3S
InChI InChI=1S/C6H7N3S/c1-3-4-10-6-7-5(2)8-9-6/h1H,4H2,2H3,(H,7,8,9)
InChIKey RQCXUAQPEWWPFG-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 DMSO-D6
Source File Reference UWIR13267