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1-(4-METHYLPHENYL)-4-BENZYLOXYCARBONYL-1-TRIFLUOROMETHYL-2,3-DIHYDRO-1-H-PYRIMIDO-[6.1-B]-[1.3]-BENZOTHIAZOL-3-ONE
SpectraBase Compound ID IofeinMvubi
InChI InChI=1S/C26H19F3N2O3S/c1-16-11-13-18(14-12-16)25(26(27,28)29)30-22(32)21(24(33)34-15-17-7-3-2-4-8-17)23-31(25)19-9-5-6-10-20(19)35-23/h2-14H,15H2,1H3,(H,30,32)
InChIKey RUWBICDNTDEXGK-UHFFFAOYSA-N
Mol Weight 496.5 g/mol
Molecular Formula C26H19F3N2O3S
Exact Mass 496.106848 g/mol

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 7i7RaFxo8rt
Name 1-(4-METHYLPHENYL)-4-BENZYLOXYCARBONYL-1-TRIFLUOROMETHYL-2,3-DIHYDRO-1-H-PYRIMIDO-[6.1-B]-[1.3]-BENZOTHIAZOL-3-ONE
Compound Number IV-H
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C26H19F3N2O3S
InChI InChI=1S/C26H19F3N2O3S/c1-16-11-13-18(14-12-16)25(26(27,28)29)30-22(32)21(24(33)34-15-17-7-3-2-4-8-17)23-31(25)19-9-5-6-10-20(19)35-23/h2-14H,15H2,1H3,(H,30,32)
InChIKey RUWBICDNTDEXGK-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 UWMZ18721