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1-PHENYL-4-(1'-PIPERIDINOMETHYL)-DELTA(2)-1,2,3,4-TETRAZOLINO-5-THIONE
SpectraBase Compound ID Kx0B29BqJL8
InChI InChI=1S/C13H17N5S/c19-13-17(11-16-9-5-2-6-10-16)14-15-18(13)12-7-3-1-4-8-12/h1,3-4,7-8H,2,5-6,9-11H2
InChIKey BEWAABANUDXGLA-UHFFFAOYSA-N
Mol Weight 275.37 g/mol
Molecular Formula C13H17N5S
Exact Mass 275.120467 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 7fqvvDFkO3j
Name 1-PHENYL-4-(1'-PIPERIDINOMETHYL)-DELTA(2)-1,2,3,4-TETRAZOLINO-5-THIONE
CAS Registry Number 16618-41-0
Compound Number 23A
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C13H17N5S
InChI InChI=1S/C13H17N5S/c19-13-17(11-16-9-5-2-6-10-16)14-15-18(13)12-7-3-1-4-8-12/h1,3-4,7-8H,2,5-6,9-11H2
InChIKey BEWAABANUDXGLA-UHFFFAOYSA-N
Literature Reference Author J.R.BARTELS-KEITH,M.T.BURGESS,J.M.STEVENSON
Literature Reference Citation J.ORG.CHEM.,42,3725(1977)
Literature Reference DOI 10.1021/jo00443a020
Molecular Weight 275.371 g/mol
Solvent DIOXANE-D8
Source File Reference UWCS13367