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1-(4-FLUOROPHENYL)-2-(5-(4-(PHENYLSULFONYL)-PHENYL)-2H-1,2,4-TRIAZOL-3-YLTHIO)-ETHANONE

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1-(4-FLUOROPHENYL)-2-(5-(4-(PHENYLSULFONYL)-PHENYL)-2H-1,2,4-TRIAZOL-3-YLTHIO)-ETHANONE
SpectraBase Compound ID FODW5Xp7Xu8
InChI InChI=1S/C22H16FN3O3S2/c23-17-10-6-15(7-11-17)20(27)14-30-22-24-21(25-26-22)16-8-12-19(13-9-16)31(28,29)18-4-2-1-3-5-18/h1-13H,14H2,(H,24,25,26)
InChIKey KVFMAPKUAOWRSX-UHFFFAOYSA-N
Mol Weight 453.51 g/mol
Molecular Formula C22H16FN3O3S2
Exact Mass 453.061712 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID BtKbDBgp9Ip
Name 1-(4-FLUOROPHENYL)-2-(5-(4-(PHENYLSULFONYL)-PHENYL)-2H-1,2,4-TRIAZOL-3-YLTHIO)-ETHANONE
Compound Number 2A
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C22H16FN3O3S2
InChI InChI=1S/C22H16FN3O3S2/c23-17-10-6-15(7-11-17)20(27)14-30-22-24-21(25-26-22)16-8-12-19(13-9-16)31(28,29)18-4-2-1-3-5-18/h1-13H,14H2,(H,24,25,26)
InChIKey KVFMAPKUAOWRSX-UHFFFAOYSA-N
Literature Reference Author S.F.BARBUCEANU,C.DRAGHICI,F.BARBUCEANU,G.BANCESCU,G.SARAMET
Literature Reference Citation CHEM.PHARM.BULL.,63,694(2015)
Literature Reference DOI 10.1248/cpb.c15-00379
Molecular Weight 453.506 g/mol
Solvent DMSO-D6
Source File Reference UWPA10113