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4-BENZOYLAMINO-1-[3,3-DIFLUORO-2-(BENZOYLOXY)-METHYL-TETRAHYDRO-THIOPHEN-2-YL]-1H-PYRIMIDIN-2-ONE
SpectraBase Compound ID 6GXoyahU8gN
InChI InChI=1S/C23H19F2N3O4S/c24-22(25)12-14-33-23(22,15-32-20(30)17-9-5-2-6-10-17)28-13-11-18(27-21(28)31)26-19(29)16-7-3-1-4-8-16/h1-11,13H,12,14-15H2,(H,26,27,29,31)
InChIKey HCJWJZDSRQCKMO-UHFFFAOYSA-N
Mol Weight 471.48 g/mol
Molecular Formula C23H19F2N3O4S
Exact Mass 471.106434 g/mol

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 6qbcw0C1zMo
Name 4-BENZOYLAMINO-1-[3,3-DIFLUORO-2-(BENZOYLOXY)-METHYL-TETRAHYDRO-THIOPHEN-2-YL]-1H-PYRIMIDIN-2-ONE
Compound Number 32
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C23H19F2N3O4S
InChI InChI=1S/C23H19F2N3O4S/c24-22(25)12-14-33-23(22,15-32-20(30)17-9-5-2-6-10-17)28-13-11-18(27-21(28)31)26-19(29)16-7-3-1-4-8-16/h1-11,13H,12,14-15H2,(H,26,27,29,31)
InChIKey HCJWJZDSRQCKMO-UHFFFAOYSA-N
Literature Reference Author X.ZHANG,H.XIA,X.DONG,J.JIN,W.D.MENG,F.L.QING
Literature Reference Citation J.ORG.CHEM.,68,9026(2003)
Literature Reference DOI 10.1021/jo034512i
Solvent CDCl3
Source File Reference UWVN25705