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N-{5-[(E)-2-(4-methoxyphenyl)ethenyl]-1,3,4-thiadiazol-2-yl}-3-methylbenzamide
SpectraBase Compound ID GpXKAFyFZyQ
InChI InChI=1S/C19H17N3O2S/c1-13-4-3-5-15(12-13)18(23)20-19-22-21-17(25-19)11-8-14-6-9-16(24-2)10-7-14/h3-12H,1-2H3,(H,20,22,23)/b11-8+
InChIKey MBJANDZRQRYWRG-DHZHZOJOSA-N
Mol Weight 351.42 g/mol
Molecular Formula C19H17N3O2S
Exact Mass 351.104148 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID EIEKtY90wAL
Name N-{5-[(E)-2-(4-Methoxyphenyl)ethenyl]-1,3,4-thiadiazol-2-yl}-3-methylbenzamide
Comments Computed using HOSE algorithm
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Exact Mass 351.104147971 u
Formula C19H17N3O2S
InChI InChI=1S/C19H17N3O2S/c1-13-4-3-5-15(12-13)18(23)20-19-22-21-17(25-19)11-8-14-6-9-16(24-2)10-7-14/h3-12H,1-2H3,(H,20,22,23)/b11-8+
InChIKey MBJANDZRQRYWRG-DHZHZOJOSA-N
Molecular Weight 351.424 g/mol
SMILES N(C=1SC(\C=C\C2=CC=C(C=C2)OC)=NN1)C(C1=CC(C)=CC=C1)=O