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3-CYCLOBUTYLCARBONYL-5-(2-NITRO-5-CHLOROPHENYL)-2,2-DIMETHYL-2,3-DIHYDRO-1,3,4-THIADIAZOLE
SpectraBase Compound ID CLxB3Jg3CMl
InChI InChI=1S/C15H16ClN3O3S/c1-15(2)18(14(20)9-4-3-5-9)17-13(23-15)11-8-10(16)6-7-12(11)19(21)22/h6-9H,3-5H2,1-2H3
InChIKey GDCXKHRNIVEKLL-UHFFFAOYSA-N
Mol Weight 353.82 g/mol
Molecular Formula C15H16ClN3O3S
Exact Mass 353.06009 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Ei3h3CB2VuL
Name 3-CYCLOBUTYLCARBONYL-5-(2-NITRO-5-CHLOROPHENYL)-2,2-DIMETHYL-2,3-DIHYDRO-1,3,4-THIADIAZOLE
Compound Number 17
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C15H16ClN3O3S
InChI InChI=1S/C15H16ClN3O3S/c1-15(2)18(14(20)9-4-3-5-9)17-13(23-15)11-8-10(16)6-7-12(11)19(21)22/h6-9H,3-5H2,1-2H3
InChIKey GDCXKHRNIVEKLL-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 353.823 g/mol
Solvent CDCl3
Source File Reference UWBT16255