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

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3-(PARA-CHLOROPHENYL)-1-(PROP-2-YNYL)-5-(PROP-2-YNYLTHIO)-1H-1,2,4-TRIAZOLE
SpectraBase Compound ID DWAW0F60ZxJ
InChI InChI=1S/C14H10ClN3S/c1-3-9-18-14(19-10-4-2)16-13(17-18)11-5-7-12(15)8-6-11/h1-2,5-8H,9-10H2
InChIKey DEZIRRFZJLIJJV-UHFFFAOYSA-N
Mol Weight 287.77 g/mol
Molecular Formula C14H10ClN3S
Exact Mass 287.028396 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 6iOUkep9kjI
Name 3-(PARA-CHLOROPHENYL)-1-(PROP-2-YN-YL)-5-(PROP-2-YN-YL-THIO)-1H-1,2,4-TRIAZOLE;R1=P-CLC6H4
Compound Number 3B
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C14H10ClN3S
InChI InChI=1S/C14H10ClN3S/c1-3-9-18-14(19-10-4-2)16-13(17-18)11-5-7-12(15)8-6-11/h1-2,5-8H,9-10H2
InChIKey DEZIRRFZJLIJJV-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 287.767 g/mol
Solvent CDCl3
Source File Reference UWIR13278