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5-METHYL-1-(PROP-2-YNYL)-3-(PROP-2-YNYLTHIO)-1H-1,2,4-TRIAZOLE

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5-METHYL-1-(PROP-2-YNYL)-3-(PROP-2-YNYLTHIO)-1H-1,2,4-TRIAZOLE
SpectraBase Compound ID 8nEaBilvQ0a
InChI InChI=1S/C9H9N3S/c1-4-6-12-8(3)10-9(11-12)13-7-5-2/h1-2H,6-7H2,3H3
InChIKey LIDXPPKUKULNFX-UHFFFAOYSA-N
Mol Weight 191.25 g/mol
Molecular Formula C9H9N3S
Exact Mass 191.051718 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 2gQF88fwN8c
Name 5-METHYL-1-(PROP-2-YN-YL)-3-(PROP-2-YN-YL-THIO)-1H-1,2,4-TRIAZOLE;R1=ME
Compound Number 3A
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C9H9N3S
InChI InChI=1S/C9H9N3S/c1-4-6-12-8(3)10-9(11-12)13-7-5-2/h1-2H,6-7H2,3H3
InChIKey LIDXPPKUKULNFX-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
Molecular Weight 191.251 g/mol
Solvent CDCl3
Source File Reference UWIR13273