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5-(4',5'-DIHYDROOXAZOL-2'-YL-METHYLSULFONYL)-4-PARA-CHLOROPHENYL-1,2,3-THIADIAZOLE
SpectraBase Compound ID F321iyWl456
InChI InChI=1S/C12H10ClN3O3S2/c13-9-3-1-8(2-4-9)11-12(20-16-15-11)21(17,18)7-10-14-5-6-19-10/h1-4H,5-7H2
InChIKey CILRLLBEYYGKDL-UHFFFAOYSA-N
Mol Weight 343.8 g/mol
Molecular Formula C12H10ClN3O3S2
Exact Mass 342.985211 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 3Rv7o3bZj7
Name 5-(4',5'-DIHYDROOXAZOL-2'-YL-METHYLSULFONYL)-4-PARA-CHLOROPHENYL-1,2,3-THIADIAZOLE
Compound Number 8C
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C12H10ClN3O3S2
InChI InChI=1S/C12H10ClN3O3S2/c13-9-3-1-8(2-4-9)11-12(20-16-15-11)21(17,18)7-10-14-5-6-19-10/h1-4H,5-7H2
InChIKey CILRLLBEYYGKDL-UHFFFAOYSA-N
Literature Reference Author V.PATMAVATHI,K.MAHESH,A.V.N.MOHAN,A.PADMAJA
Literature Reference Citation CHEM.PHARM.BULL.,57,561(2009)
Literature Reference DOI 10.1248/cpb.57.561
Molecular Weight 343.803 g/mol
Sample ID 2466
Solvent DMSO-D6