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1-[4-(METHYLSULFONYL)-PHENYL]-3-(4-CHLOROPHENYL)-5-(METHYLTHIO)-1H-1,2,4-TRIAZOLE
SpectraBase Compound ID CfiQxf9sRHY
InChI InChI=1S/C16H14ClN3O2S2/c1-23-16-18-15(11-3-5-12(17)6-4-11)19-20(16)13-7-9-14(10-8-13)24(2,21)22/h3-10H,1-2H3
InChIKey SYJJATSTMJBCLZ-UHFFFAOYSA-N
Mol Weight 379.88 g/mol
Molecular Formula C16H14ClN3O2S2
Exact Mass 379.021597 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 77WIPvKLCky
Name 1-[4-(METHYLSULFONYL)-PHENYL]-3-(4-CHLOROPHENYL)-5-(METHYLTHIO)-1H-1,2,4-TRIAZOLE
Compound Number 2E
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C16H14ClN3O2S2
InChI InChI=1S/C16H14ClN3O2S2/c1-23-16-18-15(11-3-5-12(17)6-4-11)19-20(16)13-7-9-14(10-8-13)24(2,21)22/h3-10H,1-2H3
InChIKey SYJJATSTMJBCLZ-UHFFFAOYSA-N
Literature Reference Author L.NAVIDPOUR,L.KARIMI,M.AMINI,M.VOSOOGHI,A.SHAFIEE
Literature Reference Citation J.HETCYCL.CHEM.,41,201(2004)
Literature Reference DOI 10.1002/jhet.5570410209
Molecular Weight 379.879 g/mol
Solvent CDCl3:DMSO-D6
Source File Reference UWLU22206