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3-(4-METHOXYPHENYL)-4-ETHOXYCARBONYL-3-TRIFLUOROMETHYL-2,3-DIHYDRO-1-H-PYRIMIDO-[6.1-B]-[1.3]-BENZOTHIAZOL-1-ONE
SpectraBase Compound ID 50Cr93Vloch
InChI InChI=1S/C21H17F3N2O4S/c1-3-30-18(27)16-17-26(14-6-4-5-7-15(14)31-17)19(28)25-20(16,21(22,23)24)12-8-10-13(29-2)11-9-12/h4-11H,3H2,1-2H3,(H,25,28)
InChIKey KBEYJHVBQLIEJT-UHFFFAOYSA-N
Mol Weight 450.43 g/mol
Molecular Formula C21H17F3N2O4S
Exact Mass 450.086113 g/mol

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID HDDsZDTNZjb
Name 3-(4-METHOXYPHENYL)-4-ETHOXYCARBONYL-3-TRIFLUOROMETHYL-2,3-DIHYDRO-1-H-PYRIMIDO-[6.1-B]-[1.3]-BENZOTHIAZOL-1-ONE
Compound Number III-F
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C21H17F3N2O4S
InChI InChI=1S/C21H17F3N2O4S/c1-3-30-18(27)16-17-26(14-6-4-5-7-15(14)31-17)19(28)25-20(16,21(22,23)24)12-8-10-13(29-2)11-9-12/h4-11H,3H2,1-2H3,(H,25,28)
InChIKey KBEYJHVBQLIEJT-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 UWMZ18711