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N-[5-(4-Methoxyphenyl)-[1,3,4]thiadiazol-2-yl] oxalamic acid, ethyl ester

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N-[5-(4-Methoxyphenyl)-[1,3,4]thiadiazol-2-yl] oxalamic acid, ethyl ester
SpectraBase Compound ID 55NzAqoVRgI
InChI InChI=1S/C13H13N3O4S/c1-3-20-12(18)10(17)14-13-16-15-11(21-13)8-4-6-9(19-2)7-5-8/h4-7H,3H2,1-2H3,(H,14,16,17)
InChIKey TZMDRNGJEBVYBE-UHFFFAOYSA-N
Mol Weight 307.32 g/mol
Molecular Formula C13H13N3O4S
Exact Mass 307.062677 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID KES8GqkQOAu
Name N-[5-(4-Methoxyphenyl)-[1,3,4]thiadiazol-2-yl] oxalamic acid, ethyl ester
Comments Computed using HOSE algorithm
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Exact Mass 307.062677081 u
Formula C13H13N3O4S
InChI InChI=1S/C13H13N3O4S/c1-3-20-12(18)10(17)14-13-16-15-11(21-13)8-4-6-9(19-2)7-5-8/h4-7H,3H2,1-2H3,(H,14,16,17)
InChIKey TZMDRNGJEBVYBE-UHFFFAOYSA-N
Molecular Weight 307.324 g/mol
SMILES C1(=CC=C(C=C1)OC)C1=NN=C(S1)NC(C(=O)OCC)=O