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DIETHYL-(2-METHYLSULFANYL-5,7-DIPHENYLPYRAZOLO-[1,5-A]-PYRIMIDIN-3-YL)-PHOSPHONATE
SpectraBase Compound ID 5tkRAcKCEjo
InChI InChI=1S/C23H24N3O3PS/c1-4-28-30(27,29-5-2)21-22-24-19(17-12-8-6-9-13-17)16-20(18-14-10-7-11-15-18)26(22)25-23(21)31-3/h6-16H,4-5H2,1-3H3
InChIKey LWXRQMNROVUNDZ-UHFFFAOYSA-N
Mol Weight 453.5 g/mol
Molecular Formula C23H24N3O3PS
Exact Mass 453.1276 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 8jXxrHuKzJT
Name DIETHYL-(2-METHYLSULFANYL-5,7-DIPHENYLPYRAZOLO-[1,5-A]-PYRIMIDIN-3-YL)-PHOSPHONATE
Compound Number 7.1O
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C23H24N3O3PS
InChI InChI=1S/C23H24N3O3PS/c1-4-28-30(27,29-5-2)21-22-24-19(17-12-8-6-9-13-17)16-20(18-14-10-7-11-15-18)26(22)25-23(21)31-3/h6-16H,4-5H2,1-3H3
InChIKey LWXRQMNROVUNDZ-UHFFFAOYSA-N
Literature Reference Author H.G.KRUG,R.NEIDLEIN,R.BOESE,W.KRAMER
Literature Reference Citation HETEROCYCLES,41,721(1995)
Literature Reference DOI 10.3987/COM-94-6976
Molecular Weight 453.496 g/mol
Solvent CDCl3
Source File Reference UWCP6071