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3-(PARA-METHOXYPHENYL)-1-(PROP-2-YNYL)-5-(PROP-2-YNYLTHIO)-1H-1,2,4-TRIAZOLE
SpectraBase Compound ID DnfYHEIlEHY
InChI InChI=1S/C15H13N3OS/c1-4-10-18-15(20-11-5-2)16-14(17-18)12-6-8-13(19-3)9-7-12/h1-2,6-9H,10-11H2,3H3
InChIKey SPPQFIOETBNVDS-UHFFFAOYSA-N
Mol Weight 283.35 g/mol
Molecular Formula C15H13N3OS
Exact Mass 283.077933 g/mol

15N Nuclear Magnetic Resonance (NMR) Chemical Shifts

15N Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Kf4DBeNbgWe
Name 3-(PARA-METHOXYPHENYL)-1-(PROP-2-YN-YL)-5-(PROP-2-YN-YL-THIO)-1H-1,2,4-TRIAZOLE;R1=P-OMEC6H4
Compound Number 3B
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C15H13N3OS
InChI InChI=1S/C15H13N3OS/c1-4-10-18-15(20-11-5-2)16-14(17-18)12-6-8-13(19-3)9-7-12/h1-2,6-9H,10-11H2,3H3
InChIKey SPPQFIOETBNVDS-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 UWIR13280