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N-[5-(4-methoxybenzyl)-1,3,4-thiadiazol-2-yl]-3,4-dimethylbenzamide
SpectraBase Compound ID KJGj1t6yyQ1
InChI InChI=1S/C19H19N3O2S/c1-12-4-7-15(10-13(12)2)18(23)20-19-22-21-17(25-19)11-14-5-8-16(24-3)9-6-14/h4-10H,11H2,1-3H3,(H,20,22,23)
InChIKey IFYZZEXFHMYELZ-UHFFFAOYSA-N
Mol Weight 353.44 g/mol
Molecular Formula C19H19N3O2S
Exact Mass 353.119798 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Fd9Gg2BawoW
Name N-[5-(4-Methoxybenzyl)-1,3,4-thiadiazol-2-yl]-3,4-dimethylbenzamide
Comments Computed using HOSE algorithm
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Exact Mass 353.119798036 u
Formula C19H19N3O2S
InChI InChI=1S/C19H19N3O2S/c1-12-4-7-15(10-13(12)2)18(23)20-19-22-21-17(25-19)11-14-5-8-16(24-3)9-6-14/h4-10H,11H2,1-3H3,(H,20,22,23)
InChIKey IFYZZEXFHMYELZ-UHFFFAOYSA-N
Molecular Weight 353.440 g/mol
SMILES N(C=1SC(CC=2C=CC(=CC2)OC)=NN1)C(C1=CC(C)=C(C=C1)C)=O