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1-(4-METHYLPHENYL)-4-(2-BENZOTHIAZOLYL)-1-TRIFLUOROMETHYL-2,3-DIHYDRO-1-H-PYRIMIDO-[6.1-B]-[1.3]-BENZOTHIAZOL-3-ONE
SpectraBase Compound ID KblfJXXBWwI
InChI InChI=1S/C25H16F3N3OS2/c1-14-10-12-15(13-11-14)24(25(26,27)28)30-21(32)20(22-29-16-6-2-4-8-18(16)33-22)23-31(24)17-7-3-5-9-19(17)34-23/h2-13H,1H3,(H,30,32)
InChIKey IOEYIORMNPJTKI-UHFFFAOYSA-N
Mol Weight 495.54 g/mol
Molecular Formula C25H16F3N3OS2
Exact Mass 495.068689 g/mol

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID DK2vmvM4isv
Name 1-(4-METHYLPHENYL)-4-(2-BENZOTHIAZOLYL)-1-TRIFLUOROMETHYL-2,3-DIHYDRO-1-H-PYRIMIDO-[6.1-B]-[1.3]-BENZOTHIAZOL-3-ONE
Compound Number IV-K
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C25H16F3N3OS2
InChI InChI=1S/C25H16F3N3OS2/c1-14-10-12-15(13-11-14)24(25(26,27)28)30-21(32)20(22-29-16-6-2-4-8-18(16)33-22)23-31(24)17-7-3-5-9-19(17)34-23/h2-13H,1H3,(H,30,32)
InChIKey IOEYIORMNPJTKI-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 UWMZ18722