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3-(4-METHOXYPHENYL)-4-CYANO-3-TRIFLUOROMETHYL-2,3-DIHYDRO-1-H-PYRIMIDO-[6.1-B]-[1.3]-BENZOTHIAZOL-1-ONE
SpectraBase Compound ID JrxCyniulLa
InChI InChI=1S/C19H12F3N3O2S/c1-27-12-8-6-11(7-9-12)18(19(20,21)22)13(10-23)16-25(17(26)24-18)14-4-2-3-5-15(14)28-16/h2-9H,1H3,(H,24,26)
InChIKey SWDFLQSVMLIYPB-UHFFFAOYSA-N
Mol Weight 403.38 g/mol
Molecular Formula C19H12F3N3O2S
Exact Mass 403.060232 g/mol

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Bea5Gp0k73N
Name 3-(4-METHOXYPHENYL)-4-CYANO-3-TRIFLUOROMETHYL-2,3-DIHYDRO-1-H-PYRIMIDO-[6.1-B]-[1.3]-BENZOTHIAZOL-1-ONE
Compound Number III-C
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C19H12F3N3O2S
InChI InChI=1S/C19H12F3N3O2S/c1-27-12-8-6-11(7-9-12)18(19(20,21)22)13(10-23)16-25(17(26)24-18)14-4-2-3-5-15(14)28-16/h2-9H,1H3,(H,24,26)
InChIKey SWDFLQSVMLIYPB-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 UWMZ18710