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3-ETHYLCARBONYL-5-(2-AMINO-5-CHLOROPHENYL)-2,2-DIMETHYL-2,3-DIHYDRO-1,3,4-THIADIAZOLE
SpectraBase Compound ID A34Wik50wj1
InChI InChI=1S/C13H16ClN3OS/c1-4-11(18)17-13(2,3)19-12(16-17)9-7-8(14)5-6-10(9)15/h5-7H,4,15H2,1-3H3
InChIKey CCXALALGFDOOQL-UHFFFAOYSA-N
Mol Weight 297.8 g/mol
Molecular Formula C13H16ClN3OS
Exact Mass 297.070261 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID G7BxkYIOcFa
Name 3-ETHYLCARBONYL-5-(2-AMINO-5-CHLOROPHENYL)-2,2-DIMETHYL-2,3-DIHYDRO-1,3,4-THIADIAZOLE
Compound Number 40
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Formula C13H16ClN3OS
InChI InChI=1S/C13H16ClN3OS/c1-4-11(18)17-13(2,3)19-12(16-17)9-7-8(14)5-6-10(9)15/h5-7H,4,15H2,1-3H3
InChIKey CCXALALGFDOOQL-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 297.803 g/mol
Solvent CDCl3
Source File Reference UWBT16278