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3-PROPYLCARBONYL-5-(2-AMINO-5-CHLOROPHENYL)-2,2-DIMETHYL-2,3-DIHYDRO-1,3,4-THIADIAZOLE
SpectraBase Compound ID EgHW6wZEh8S
InChI InChI=1S/C14H18ClN3OS/c1-4-5-12(19)18-14(2,3)20-13(17-18)10-8-9(15)6-7-11(10)16/h6-8H,4-5,16H2,1-3H3
InChIKey FXAPFFZMWNVWBS-UHFFFAOYSA-N
Mol Weight 311.83 g/mol
Molecular Formula C14H18ClN3OS
Exact Mass 311.085911 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID IkjvGwIsqEq
Name 3-PROPYLCARBONYL-5-(2-AMINO-5-CHLOROPHENYL)-2,2-DIMETHYL-2,3-DIHYDRO-1,3,4-THIADIAZOLE
Compound Number 41
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C14H18ClN3OS
InChI InChI=1S/C14H18ClN3OS/c1-4-5-12(19)18-14(2,3)20-13(17-18)10-8-9(15)6-7-11(10)16/h6-8H,4-5,16H2,1-3H3
InChIKey FXAPFFZMWNVWBS-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 311.829 g/mol
Solvent CDCl3
Source File Reference UWBT16279