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N-[5-(ethylsulfanyl)-1,3,4-thiadiazol-2-yl]-3,5-dimethoxybenzamide

View entire compound with spectra: 2 NMR

N-[5-(ethylsulfanyl)-1,3,4-thiadiazol-2-yl]-3,5-dimethoxybenzamide
SpectraBase Compound ID n8TIgaLUTm
InChI InChI=1S/C13H15N3O3S2/c1-4-20-13-16-15-12(21-13)14-11(17)8-5-9(18-2)7-10(6-8)19-3/h5-7H,4H2,1-3H3,(H,14,15,17)
InChIKey UQZBARSQABXYCF-UHFFFAOYSA-N
Mol Weight 325.4 g/mol
Molecular Formula C13H15N3O3S2
Exact Mass 325.055484 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID IszZg7NdfBI
Name N-[5-(Ethylsulfanyl)-1,3,4-thiadiazol-2-yl]-3,5-dimethoxybenzamide
Comments Computed using HOSE algorithm
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Exact Mass 325.055483700 u
Formula C13H15N3O3S2
InChI InChI=1S/C13H15N3O3S2/c1-4-20-13-16-15-12(21-13)14-11(17)8-5-9(18-2)7-10(6-8)19-3/h5-7H,4H2,1-3H3,(H,14,15,17)
InChIKey UQZBARSQABXYCF-UHFFFAOYSA-N
Molecular Weight 325.401 g/mol
SMILES N(C=1SC(SCC)=NN1)C(C1=CC(OC)=CC(=C1)OC)=O