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1-[4-(METHYLSULFONYL)-PHENYL]-3-(METHYLTHIO)-5-PHENYL-1H-1,2,4-TRIAZOLE
SpectraBase Compound ID EFaNW5BIwRJ
InChI InChI=1S/C16H15N3O2S2/c1-22-16-17-15(12-6-4-3-5-7-12)19(18-16)13-8-10-14(11-9-13)23(2,20)21/h3-11H,1-2H3
InChIKey IAPCRMYXDFQXQW-UHFFFAOYSA-N
Mol Weight 345.44 g/mol
Molecular Formula C16H15N3O2S2
Exact Mass 345.060569 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 3Xe6J6bMxUN
Name 1-[4-(METHYLSULFONYL)-PHENYL]-3-(METHYLTHIO)-5-PHENYL-1H-1,2,4-TRIAZOLE
Compound Number 3A
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C16H15N3O2S2
InChI InChI=1S/C16H15N3O2S2/c1-22-16-17-15(12-6-4-3-5-7-12)19(18-16)13-8-10-14(11-9-13)23(2,20)21/h3-11H,1-2H3
InChIKey IAPCRMYXDFQXQW-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 345.434 g/mol
Solvent CDCl3
Source File Reference UWLU22212