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3-CYCLOHEXYLCARBONYL-5-(2-AMINO-5-CHLOROPHENYL)-2,2-DIMETHYL-2,3-DIHYDRO-1,3,4-THIADIAZOLE
SpectraBase Compound ID 4aJcKj86CNq
InChI InChI=1S/C17H22ClN3OS/c1-17(2)21(16(22)11-6-4-3-5-7-11)20-15(23-17)13-10-12(18)8-9-14(13)19/h8-11H,3-7,19H2,1-2H3
InChIKey HEZNFGMLVSDYNB-UHFFFAOYSA-N
Mol Weight 351.9 g/mol
Molecular Formula C17H22ClN3OS
Exact Mass 351.117211 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 3TEMOdhXkl5
Name 3-CYCLOHEXYLCARBONYL-5-(2-AMINO-5-CHLOROPHENYL)-2,2-DIMETHYL-2,3-DIHYDRO-1,3,4-THIADIAZOLE
Compound Number 46
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C17H22ClN3OS
InChI InChI=1S/C17H22ClN3OS/c1-17(2)21(16(22)11-6-4-3-5-7-11)20-15(23-17)13-10-12(18)8-9-14(13)19/h8-11H,3-7,19H2,1-2H3
InChIKey HEZNFGMLVSDYNB-UHFFFAOYSA-N
Literature Reference Author M.D.CARRION,L.C.LOPEZ-CARA,M.CHAYAH,D.CHOQUESILLO-LAZARTE,M. A.GALLO,A.ESPINOSA,A
Literature Reference Citation MAGN.RES.CHEM.,50,515(2012)
Literature Reference DOI 10.1002/mrc.3830
Molecular Weight 351.894 g/mol
Solvent CDCl3
Source File Reference UWBT16284