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5-(4-Chloro-phenyl)-3-(4-[2-methyl-piperidino]-2-butynyl)-1,3,4-thiadiazol-2(3H)-one
SpectraBase Compound ID CKvxSVrePI7
InChI InChI=1S/C18H20ClN3OS/c1-14-6-2-3-11-21(14)12-4-5-13-22-18(23)24-17(20-22)15-7-9-16(19)10-8-15/h7-10,14H,2-3,6,11-13H2,1H3
InChIKey YCVKTQYDKZTHMP-UHFFFAOYSA-N
Mol Weight 361.89 g/mol
Molecular Formula C18H20ClN3OS
Exact Mass 361.101561 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Ej1lEm40lUO
Name 5-(4-Chloro-phenyl)-3-(4-[2-methyl-piperidino]-2-butynyl)-1,3,4-thiadiazol-2(3H)-one
CAS Registry Number 97050-87-8
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C18H20ClN3OS
InChI InChI=1S/C18H20ClN3OS/c1-14-6-2-3-11-21(14)12-4-5-13-22-18(23)24-17(20-22)15-7-9-16(19)10-8-15/h7-10,14H,2-3,6,11-13H2,1H3
InChIKey YCVKTQYDKZTHMP-UHFFFAOYSA-N
Instrument Name Varian FT-80
Literature Reference S.R. Salman, Z. Muhi-Eldeen, A.H.Yasin, Magn. Res. Chem. 24, 271 (1986).
NMR Standard not reported
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent CDCl3