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3-BUTYLCARBONYL-5-(2-AMINO-5-CHLOROPHENYL)-2,2-DIMETHYL-2,3-DIHYDRO-1,3,4-THIADIAZOLE
SpectraBase Compound ID 6y2Mk4qKssX
InChI InChI=1S/C15H20ClN3OS/c1-4-5-6-13(20)19-15(2,3)21-14(18-19)11-9-10(16)7-8-12(11)17/h7-9H,4-6,17H2,1-3H3
InChIKey FMAXHOCZYDBDHO-UHFFFAOYSA-N
Mol Weight 325.86 g/mol
Molecular Formula C15H20ClN3OS
Exact Mass 325.101561 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 7pkL2BOc14n
Name 3-BUTYLCARBONYL-5-(2-AMINO-5-CHLOROPHENYL)-2,2-DIMETHYL-2,3-DIHYDRO-1,3,4-THIADIAZOLE
Compound Number 42
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C15H20ClN3OS
InChI InChI=1S/C15H20ClN3OS/c1-4-5-6-13(20)19-15(2,3)21-14(18-19)11-9-10(16)7-8-12(11)17/h7-9H,4-6,17H2,1-3H3
InChIKey FMAXHOCZYDBDHO-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 325.856 g/mol
Solvent CDCl3
Source File Reference UWBT16280