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2,6-Dimethoxy-N-(5-trifluoromethyl-1,3,4]thiadiazol- 2-yl)benzamide
SpectraBase Compound ID GGghd07QTew
InChI InChI=1S/C12H10F3N3O3S/c1-20-6-4-3-5-7(21-2)8(6)9(19)16-11-18-17-10(22-11)12(13,14)15/h3-5H,1-2H3,(H,16,18,19)
InChIKey BCHHZEBPVXKQMW-UHFFFAOYSA-N
Mol Weight 333.29 g/mol
Molecular Formula C12H10F3N3O3S
Exact Mass 333.039497 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 9QyjmlmCfOZ
Name 2,6-Dimethoxy-N-(5-trifluoromethyl-1,3,4]thiadiazol- 2-yl)benzamide
Comments Computed using HOSE algorithm
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Exact Mass 333.039496854 u
Formula C12H10F3N3O3S
InChI InChI=1S/C12H10F3N3O3S/c1-20-6-4-3-5-7(21-2)8(6)9(19)16-11-18-17-10(22-11)12(13,14)15/h3-5H,1-2H3,(H,16,18,19)
InChIKey BCHHZEBPVXKQMW-UHFFFAOYSA-N
Molecular Weight 333.285 g/mol
SMILES C1=CC=C(C(=C1OC)C(NC=1SC(C(F)(F)F)=NN1)=O)OC