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3-TERT.-BUTYL-1-(PROP-2-YNYL)-5-(PROP-2-YNYLTHIO)-1H-1,2,4-TRIAZOLE
SpectraBase Compound ID Jz7y80qnhKg
InChI InChI=1S/C12H15N3S/c1-6-8-15-11(16-9-7-2)13-10(14-15)12(3,4)5/h1-2H,8-9H2,3-5H3
InChIKey FHXLHZHJDUJSBM-UHFFFAOYSA-N
Mol Weight 233.33 g/mol
Molecular Formula C12H15N3S
Exact Mass 233.098669 g/mol

15N Nuclear Magnetic Resonance (NMR) Chemical Shifts

15N Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Lls3HK49iDA
Name 3-TERT.-BUTYL-1-(PROP-2-YNYL)-5-(PROP-2-YNYLTHIO)-1H-1,2,4-TRIAZOLE
Compound Number H3
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C12H15N3S
InChI InChI=1S/C12H15N3S/c1-6-8-15-11(16-9-7-2)13-10(14-15)12(3,4)5/h1-2H,8-9H2,3-5H3
InChIKey FHXLHZHJDUJSBM-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
Solvent CDCl3
Source File Reference UWBT16446