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

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2-(4-Chloro-phenyl)-5-(4-[1'-perhydro-azepinyl]-2-butynylthio)-1,3,4-thiadiazole
SpectraBase Compound ID KlJZ1sweeyl
InChI InChI=1S/C18H20ClN3S2/c19-16-9-7-15(8-10-16)17-20-21-18(24-17)23-14-6-5-13-22-11-3-1-2-4-12-22/h7-10H,1-4,11-14H2
InChIKey USVDBZFRQAVJDO-UHFFFAOYSA-N
Mol Weight 377.95 g/mol
Molecular Formula C18H20ClN3S2
Exact Mass 377.078718 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 6AGixpZlstc
Name 2-(4-Chloro-phenyl)-5-(4-[1'-perhydro-azepinyl]-2-butynylthio)-1,3,4-thiadiazole
CAS Registry Number 83108-19-4
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C18H20ClN3S2
InChI InChI=1S/C18H20ClN3S2/c19-16-9-7-15(8-10-16)17-20-21-18(24-17)23-14-6-5-13-22-11-3-1-2-4-12-22/h7-10H,1-4,11-14H2
InChIKey USVDBZFRQAVJDO-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