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2-(2,4-dichlorophenoxy)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)propanamide
SpectraBase Compound ID 5mepxw0gpNy
InChI InChI=1S/C13H13Cl2N3O2S/c1-3-11-17-18-13(21-11)16-12(19)7(2)20-10-5-4-8(14)6-9(10)15/h4-7H,3H2,1-2H3,(H,16,18,19)
InChIKey UHYXUXXZMGYRQT-UHFFFAOYSA-N
Mol Weight 346.23 g/mol
Molecular Formula C13H13Cl2N3O2S
Exact Mass 345.010553 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID HkNGx4DzwtK
Name 2-(2,4-Dichlorophenoxy)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)propanamide
Comments Computed using HOSE algorithm
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Exact Mass 345.010553243 u
Formula C13H13Cl2N3O2S
InChI InChI=1S/C13H13Cl2N3O2S/c1-3-11-17-18-13(21-11)16-12(19)7(2)20-10-5-4-8(14)6-9(10)15/h4-7H,3H2,1-2H3,(H,16,18,19)
InChIKey UHYXUXXZMGYRQT-UHFFFAOYSA-N
Molecular Weight 346.232 g/mol
SMILES N(C=1SC(CC)=NN1)C(C(OC1=C(C=C(C=C1)Cl)Cl)C)=O