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1-TERT.-BUTYL4-(3,6-DIHYDRO-4,5-DIMETHYL-2H-THIOPYRAN-2-YL)-1,2,3-TRIAZOLE
SpectraBase Compound ID G7Xfb9Zki2T
InChI InChI=1S/C13H21N3S/c1-9-6-12(17-8-10(9)2)11-7-16(15-14-11)13(3,4)5/h7,12H,6,8H2,1-5H3
InChIKey CPIKMWXVNSOGNU-UHFFFAOYSA-N
Mol Weight 251.39 g/mol
Molecular Formula C13H21N3S
Exact Mass 251.145619 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 6FsPhK8sGrC
Name 1-TERT.-BUTYL4-(3,6-DIHYDRO-4,5-DIMETHYL-2H-THIOPYRAN-2-YL)-1,2,3-TRIAZOLE
Compound Number 8D
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C13H21N3S
InChI InChI=1S/C13H21N3S/c1-9-6-12(17-8-10(9)2)11-7-16(15-14-11)13(3,4)5/h7,12H,6,8H2,1-5H3
InChIKey CPIKMWXVNSOGNU-UHFFFAOYSA-N
Literature Reference Author G.LABBE,M.VERBEKE,W.DEHAEN,S.TOPPET
Literature Reference Citation J.CHEM.SOC.PERKIN-1,1719(1993)
Literature Reference DOI 10.1039/p19930001719
Molecular Weight 251.390 g/mol
Solvent CDCl3
Source File Reference UWCP6806