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3-PHENYL-4-ETHOXYCARBONYL-3-TRIFLUOROMETHYL-2,3-DIHYDRO-1-H-PYRIMIDO-[6.1-B]-[1.3]-BENZOTHIAZOL-1-ONE
SpectraBase Compound ID EHVWI7nSxuk
InChI InChI=1S/C20H15F3N2O3S/c1-2-28-17(26)15-16-25(13-10-6-7-11-14(13)29-16)18(27)24-19(15,20(21,22)23)12-8-4-3-5-9-12/h3-11H,2H2,1H3,(H,24,27)
InChIKey HJOKJIRVBPQXOP-UHFFFAOYSA-N
Mol Weight 420.41 g/mol
Molecular Formula C20H15F3N2O3S
Exact Mass 420.075548 g/mol

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 86Rl8JL1lDU
Name 3-PHENYL-4-ETHOXYCARBONYL-3-TRIFLUOROMETHYL-2,3-DIHYDRO-1-H-PYRIMIDO-[6.1-B]-[1.3]-BENZOTHIAZOL-1-ONE
Compound Number III-D
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C20H15F3N2O3S
InChI InChI=1S/C20H15F3N2O3S/c1-2-28-17(26)15-16-25(13-10-6-7-11-14(13)29-16)18(27)24-19(15,20(21,22)23)12-8-4-3-5-9-12/h3-11H,2H2,1H3,(H,24,27)
InChIKey HJOKJIRVBPQXOP-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 UWMZ18703