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1-PHENYL-4-(2-BENZOTHIAZOLYL)-1-TRIFLUOROMETHYL-2,3-DIHYDRO-1-H-PYRIMIDO-[6.1-B]-[1.3]-BENZOTHIAZOL-3-ONE
SpectraBase Compound ID 3vlLmziACt7
InChI InChI=1S/C24H14F3N3OS2/c25-24(26,27)23(14-8-2-1-3-9-14)29-20(31)19(21-28-15-10-4-6-12-17(15)32-21)22-30(23)16-11-5-7-13-18(16)33-22/h1-13H,(H,29,31)
InChIKey HSDPPEICXZHRAW-UHFFFAOYSA-N
Mol Weight 481.51 g/mol
Molecular Formula C24H14F3N3OS2
Exact Mass 481.053039 g/mol

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Pge9v9QWUN
Name 1-PHENYL-4-(2-BENZOTHIAZOLYL)-1-TRIFLUOROMETHYL-2,3-DIHYDRO-1-H-PYRIMIDO-[6.1-B]-[1.3]-BENZOTHIAZOL-3-ONE
Compound Number IV-J
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C24H14F3N3OS2
InChI InChI=1S/C24H14F3N3OS2/c25-24(26,27)23(14-8-2-1-3-9-14)29-20(31)19(21-28-15-10-4-6-12-17(15)32-21)22-30(23)16-11-5-7-13-18(16)33-22/h1-13H,(H,29,31)
InChIKey HSDPPEICXZHRAW-UHFFFAOYSA-N
Literature Reference Author M.V.VOVL,P.S.LEBED,V.A.SUKACH,M.Y.KORNILOV
Literature Reference Citation RUSS.J.ORG.CHEM.,39,1781(2003)
Literature Reference DOI 10.1023/B:RUJO.0000019744.08100.85
Solvent CDCl3
Source File Reference UWMZ18718