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3-(4-METHOXYPHENYL)-4-BENZYLOXYCARBONYL-3-TRIFLUOROMETHYL-2,3-DIHYDRO-1-H-PYRIMIDO-[6.1-B]-[1.3]-BENZOTHIAZOL-1-ONE
SpectraBase Compound ID JWRHIsIUt9
InChI InChI=1S/C26H19F3N2O4S/c1-34-18-13-11-17(12-14-18)25(26(27,28)29)21(23(32)35-15-16-7-3-2-4-8-16)22-31(24(33)30-25)19-9-5-6-10-20(19)36-22/h2-14H,15H2,1H3,(H,30,33)
InChIKey GUSZGTJMZYUBMU-UHFFFAOYSA-N
Mol Weight 512.5 g/mol
Molecular Formula C26H19F3N2O4S
Exact Mass 512.101763 g/mol

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 14NWtxtumdy
Name 3-(4-METHOXYPHENYL)-4-BENZYLOXYCARBONYL-3-TRIFLUOROMETHYL-2,3-DIHYDRO-1-H-PYRIMIDO-[6.1-B]-[1.3]-BENZOTHIAZOL-1-ONE
Compound Number III-I
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C26H19F3N2O4S
InChI InChI=1S/C26H19F3N2O4S/c1-34-18-13-11-17(12-14-18)25(26(27,28)29)21(23(32)35-15-16-7-3-2-4-8-16)22-31(24(33)30-25)19-9-5-6-10-20(19)36-22/h2-14H,15H2,1H3,(H,30,33)
InChIKey GUSZGTJMZYUBMU-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 UWMZ18712