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Ethanone, 1-(benzofuran-2-yl)-2-(4-methyl-5-phenyl-4H-[1,2,4]triazol-3-ylsulfanyl)-
SpectraBase Compound ID 9ytuoU1X9b1
InChI InChI=1S/C19H15N3O2S/c1-22-18(13-7-3-2-4-8-13)20-21-19(22)25-12-15(23)17-11-14-9-5-6-10-16(14)24-17/h2-11H,12H2,1H3
InChIKey BLNIIISLHWDRRU-UHFFFAOYSA-N
Mol Weight 349.41 g/mol
Molecular Formula C19H15N3O2S
Exact Mass 349.088498 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 2SmCCFrzRWZ
Name Ethanone, 1-(benzofuran-2-yl)-2-(4-methyl-5-phenyl-4H-[1,2,4]triazol-3-ylsulfanyl)-
Comments Computed using HOSE algorithm
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Exact Mass 349.088497907 u
Formula C19H15N3O2S
InChI InChI=1S/C19H15N3O2S/c1-22-18(13-7-3-2-4-8-13)20-21-19(22)25-12-15(23)17-11-14-9-5-6-10-16(14)24-17/h2-11H,12H2,1H3
InChIKey BLNIIISLHWDRRU-UHFFFAOYSA-N
Molecular Weight 349.408 g/mol
SMILES C1(=NN=C(N1C)C1=CC=CC=C1)SCC(=O)C1=CC2=CC=CC=C2O1