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2-(4-Chloro-phenyl)-5-(4-[1'-perhydro-azocinyl]-2-butynylthio)-1,3,4-thiadiazole

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2-(4-Chloro-phenyl)-5-(4-[1'-perhydro-azocinyl]-2-butynylthio)-1,3,4-thiadiazole
SpectraBase Compound ID OiTKXEMEcu
InChI InChI=1S/C19H22ClN3S2/c20-17-10-8-16(9-11-17)18-21-22-19(25-18)24-15-7-6-14-23-12-4-2-1-3-5-13-23/h8-11H,1-5,12-15H2
InChIKey JVSHJXSTKHSIOG-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 Ke2Qa9Zn9FV
Name 2-(4-Chloro-phenyl)-5-(4-[1'-perhydro-azocinyl]-2-butynylthio)-1,3,4-thiadiazole
CAS Registry Number 83108-20-7
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C19H22ClN3S2
InChI InChI=1S/C19H22ClN3S2/c20-17-10-8-16(9-11-17)18-21-22-19(25-18)24-15-7-6-14-23-12-4-2-1-3-5-13-23/h8-11H,1-5,12-15H2
InChIKey JVSHJXSTKHSIOG-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