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5-(4-Chloro-phenyl)-3-(4-morpholino-2-butynyl)-1,3,4-thiadiazol-2(3H)-one
SpectraBase Compound ID KJt6Z0CiRS8
InChI InChI=1S/C16H16ClN3O2S/c17-14-5-3-13(4-6-14)15-18-20(16(21)23-15)8-2-1-7-19-9-11-22-12-10-19/h3-6H,7-12H2
InChIKey MYFVCTVKFIIUMV-UHFFFAOYSA-N
Mol Weight 349.84 g/mol
Molecular Formula C16H16ClN3O2S
Exact Mass 349.065176 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID DKb0SkYXU1e
Name 5-(4-Chloro-phenyl)-3-(4-morpholino-2-butynyl)-1,3,4-thiadiazol-2(3H)-one
CAS Registry Number 97050-91-4
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C16H16ClN3O2S
InChI InChI=1S/C16H16ClN3O2S/c17-14-5-3-13(4-6-14)15-18-20(16(21)23-15)8-2-1-7-19-9-11-22-12-10-19/h3-6H,7-12H2
InChIKey MYFVCTVKFIIUMV-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