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3-TERT.-BUTYL-5-(PROP-2-YNYLTHIO)-1H-1,2,4-TRIAZOLE

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3-TERT.-BUTYL-5-(PROP-2-YNYLTHIO)-1H-1,2,4-TRIAZOLE
SpectraBase Compound ID ItHMDRMvGgF
InChI InChI=1S/C9H13N3S/c1-5-6-13-8-10-7(11-12-8)9(2,3)4/h1H,6H2,2-4H3,(H,10,11,12)
InChIKey JYEKYEPJFVKJQG-UHFFFAOYSA-N
Mol Weight 195.28 g/mol
Molecular Formula C9H13N3S
Exact Mass 195.083019 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID HIobsDhVeMj
Name 3-TERT.-BUTYL-5-(PROP-2-YNYLTHIO)-1H-1,2,4-TRIAZOLE
Compound Number E3
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C9H13N3S
InChI InChI=1S/C9H13N3S/c1-5-6-13-8-10-7(11-12-8)9(2,3)4/h1H,6H2,2-4H3,(H,10,11,12)
InChIKey JYEKYEPJFVKJQG-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 195.282 g/mol
Solvent CDCl3:CD3OD
Source File Reference UWBT16436