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4-(4-METHYLSULFONYLPHENYL)-3-(METHYLTHIO)-5-PHENYL-4H-1,2,4-TRIAZOLE

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4-(4-METHYLSULFONYLPHENYL)-3-(METHYLTHIO)-5-PHENYL-4H-1,2,4-TRIAZOLE
SpectraBase Compound ID 6UfjTNUzYnZ
InChI InChI=1S/2C16H15N3O2S2/c2*1-22-16-18-17-15(12-6-4-3-5-7-12)19(16)13-8-10-14(11-9-13)23(2,20)21/h2*3-11H,1-2H3
InChIKey OPUPSMNMXBWSMG-UHFFFAOYSA-N
Mol Weight 690.87 g/mol
Molecular Formula C32H30N6O4S4
Exact Mass 690.121138 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 9Uz8JodpZ1d
Name 4-(4-METHYLSULFONYLPHENYL)-3-(METHYLTHIO)-5-PHENYL-4H-1,2,4-TRIAZOLE
Compound Number 9
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C32H30N6O4S4
InChI InChI=1S/2C16H15N3O2S2/c2*1-22-16-18-17-15(12-6-4-3-5-7-12)19(16)13-8-10-14(11-9-13)23(2,20)21/h2*3-11H,1-2H3
InChIKey OPUPSMNMXBWSMG-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 690.868 g/mol
Solvent CDCl3:DMSO-D6
Source File Reference UWLU22213