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3-ETHYLCARBONYL-5-(2-NITRO-5-CHLOROPHENYL)-2,2-DIMETHYL-2,3-DIHYDRO-1,3,4-THIADIAZOLE
SpectraBase Compound ID B4A4kjYqLiE
InChI InChI=1S/C13H14ClN3O3S/c1-4-11(18)16-13(2,3)21-12(15-16)9-7-8(14)5-6-10(9)17(19)20/h5-7H,4H2,1-3H3
InChIKey WRKPMDXRGXPIKB-UHFFFAOYSA-N
Mol Weight 327.79 g/mol
Molecular Formula C13H14ClN3O3S
Exact Mass 327.04444 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 8ZOwOEPLVm9
Name 3-ETHYLCARBONYL-5-(2-NITRO-5-CHLOROPHENYL)-2,2-DIMETHYL-2,3-DIHYDRO-1,3,4-THIADIAZOLE
Compound Number 13
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C13H14ClN3O3S
InChI InChI=1S/C13H14ClN3O3S/c1-4-11(18)16-13(2,3)21-12(15-16)9-7-8(14)5-6-10(9)17(19)20/h5-7H,4H2,1-3H3
InChIKey WRKPMDXRGXPIKB-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 327.785 g/mol
Solvent CDCl3
Source File Reference UWBT16251