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

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3-(PARA-CHLOROPHENYL)-5-(PROP-2-YNYLTHIO)-1H-1,2,4-TRIAZOLE
SpectraBase Compound ID 3s5sXVNOHg2
InChI InChI=1S/2C11H8ClN3S/c2*1-2-7-16-11-13-10(14-15-11)8-3-5-9(12)6-4-8/h2*1,3-6H,7H2,(H,13,14,15)
InChIKey SLBNLZIJAGEPKP-UHFFFAOYSA-N
Mol Weight 499.44 g/mol
Molecular Formula C22H16Cl2N6S2
Exact Mass 498.025492 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 906Q9Inn28k
Name 3-(PARA-CHLOROPHENYL)-5-(PROP-2-YNYLTHIO)-1H-1,2,4-TRIAZOLE
Compound Number E4
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C22H16Cl2N6S2
InChI InChI=1S/2C11H8ClN3S/c2*1-2-7-16-11-13-10(14-15-11)8-3-5-9(12)6-4-8/h2*1,3-6H,7H2,(H,13,14,15)
InChIKey SLBNLZIJAGEPKP-UHFFFAOYSA-N
Literature Reference Author P.M.CHAUDHARY,S.R.CHAVAN,M.KAVITHA,S.P.MAYBHATE,S.R.DESHPAND E,A.P.LIKHITE,P.R.
Literature Reference Citation MAGN.RES.CHEM.,46,1168(2008)
Literature Reference DOI 10.1002/mrc.2307
Molecular Weight 499.435 g/mol
Solvent CDCl3:CD3OD
Source File Reference UWBT16437