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N-(4-Methoxy-phenyl)-3-(5-methyl-[1,3,4]thiadiazol-2-ylsulfanyl)-propionamide
SpectraBase Compound ID 9eK59mkxCF4
InChI InChI=1S/C13H15N3O2S2/c1-9-15-16-13(20-9)19-8-7-12(17)14-10-3-5-11(18-2)6-4-10/h3-6H,7-8H2,1-2H3,(H,14,17)
InChIKey PQBAWRFAQAULHS-UHFFFAOYSA-N
Mol Weight 309.4 g/mol
Molecular Formula C13H15N3O2S2
Exact Mass 309.060569 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID LZFKUBH42O8
Name N-(4-Methoxy-phenyl)-3-(5-methyl-[1,3,4]thiadiazol-2-ylsulfanyl)-propionamide
Comments Computed using HOSE algorithm
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Exact Mass 309.060569081 u
Formula C13H15N3O2S2
InChI InChI=1S/C13H15N3O2S2/c1-9-15-16-13(20-9)19-8-7-12(17)14-10-3-5-11(18-2)6-4-10/h3-6H,7-8H2,1-2H3,(H,14,17)
InChIKey PQBAWRFAQAULHS-UHFFFAOYSA-N
Molecular Weight 309.402 g/mol
SMILES COC1=CC=C(NC(CCSC=2SC(C)=NN2)=O)C=C1