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3-METHYLCARBONYL-5-(2-NITROPHENYL)-2,2-DIMETHYL-2,3-DIHYDRO-1,3,4-THIADIAZOLE
SpectraBase Compound ID 4KRtzRR6hpb
InChI InChI=1S/C12H13N3O3S/c1-8(16)14-12(2,3)19-11(13-14)9-6-4-5-7-10(9)15(17)18/h4-7H,1-3H3
InChIKey XYMOIJUCTIPQIX-UHFFFAOYSA-N
Mol Weight 279.31 g/mol
Molecular Formula C12H13N3O3S
Exact Mass 279.067762 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID EQOTgT0Hc0E
Name 3-METHYLCARBONYL-5-(2-NITROPHENYL)-2,2-DIMETHYL-2,3-DIHYDRO-1,3,4-THIADIAZOLE
Compound Number 21
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C12H13N3O3S
InChI InChI=1S/C12H13N3O3S/c1-8(16)14-12(2,3)19-11(13-14)9-6-4-5-7-10(9)15(17)18/h4-7H,1-3H3
InChIKey XYMOIJUCTIPQIX-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 279.314 g/mol
Solvent CDCl3
Source File Reference UWBT16259