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2-(4-Chloro-phenyl)-5-(4-[2',6'-dimethyl-1'-piperidinyl]-2-butynylthio)-1,3,4-thiadiazole

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2-(4-Chloro-phenyl)-5-(4-[2',6'-dimethyl-1'-piperidinyl]-2-butynylthio)-1,3,4-thiadiazole
SpectraBase Compound ID 3fdrdSxklAZ
InChI InChI=1S/C19H22ClN3S2/c1-14-6-5-7-15(2)23(14)12-3-4-13-24-19-22-21-18(25-19)16-8-10-17(20)11-9-16/h8-11,14-15H,5-7,12-13H2,1-2H3
InChIKey KJSGNVFTAHPRAK-UHFFFAOYSA-N
Mol Weight 391.98 g/mol
Molecular Formula C19H22ClN3S2
Exact Mass 391.094368 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID IWr4DpFcKbm
Name 2-(4-Chloro-phenyl)-5-(4-[2',6'-dimethyl-1'-piperidinyl]-2-butynylthio)-1,3,4-thiadiazole
CAS Registry Number 83108-18-3
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C19H22ClN3S2
InChI InChI=1S/C19H22ClN3S2/c1-14-6-5-7-15(2)23(14)12-3-4-13-24-19-22-21-18(25-19)16-8-10-17(20)11-9-16/h8-11,14-15H,5-7,12-13H2,1-2H3
InChIKey KJSGNVFTAHPRAK-UHFFFAOYSA-N
Instrument Name Bruker WH-90
Literature Reference J.M. Al-Rawi, G.Q. Behnam, S.R.Salman, Org. Magn. Resonance 19, 91 (1982).
NMR Standard TMS
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent CDCl3