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3-METHYLCARBONYL-5-(2-NITRO-5-CHLOROPHENYL)-2,2-DIMETHYL-2,3-DIHYDRO-1,3,4-THIADIAZOLE
SpectraBase Compound ID IWmh3jg5npG
InChI InChI=1S/C12H12ClN3O3S/c1-7(17)15-12(2,3)20-11(14-15)9-6-8(13)4-5-10(9)16(18)19/h4-6H,1-3H3
InChIKey DCJCDCSGVUQKFH-UHFFFAOYSA-N
Mol Weight 313.76 g/mol
Molecular Formula C12H12ClN3O3S
Exact Mass 313.02879 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Dlqc7laTLWr
Name 3-METHYLCARBONYL-5-(2-NITRO-5-CHLOROPHENYL)-2,2-DIMETHYL-2,3-DIHYDRO-1,3,4-THIADIAZOLE
Compound Number 12
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C12H12ClN3O3S
InChI InChI=1S/C12H12ClN3O3S/c1-7(17)15-12(2,3)20-11(14-15)9-6-8(13)4-5-10(9)16(18)19/h4-6H,1-3H3
InChIKey DCJCDCSGVUQKFH-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 313.759 g/mol
Solvent CDCl3
Source File Reference UWBT16250