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ETHYL-2-(4,6-DIPHENETHOXYPYRIMIDIN-2-YLTHIO)-HEXANOATE
SpectraBase Compound ID 5SILiOHpJv3
InChI InChI=1S/C28H34N2O4S/c1-3-5-16-24(27(31)32-4-2)35-28-29-25(33-19-17-22-12-8-6-9-13-22)21-26(30-28)34-20-18-23-14-10-7-11-15-23/h6-15,21,24H,3-5,16-20H2,1-2H3
InChIKey AFPQXHOGCQYPOF-UHFFFAOYSA-N
Mol Weight 494.7 g/mol
Molecular Formula C28H34N2O4S
Exact Mass 494.223929 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 7IdBaGNNKuU
Name ETHYL-2-(4,6-DIPHENETHOXYPYRIMIDIN-2-YLTHIO)-HEXANOATE
Compound Number 8B
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C28H34N2O4S
InChI InChI=1S/C28H34N2O4S/c1-3-5-16-24(27(31)32-4-2)35-28-29-25(33-19-17-22-12-8-6-9-13-22)21-26(30-28)34-20-18-23-14-10-7-11-15-23/h6-15,21,24H,3-5,16-20H2,1-2H3
InChIKey AFPQXHOGCQYPOF-UHFFFAOYSA-N
Literature Reference Author M.HIEKE,J.NESS,R.STERI,M.DITTRICH,C.GREINER,O.WERZ,K.BAUMANN ,M.SCHUBERT-ZSILAVEC
Literature Reference Citation J.MED.CHEM.,53,4691(2010)
Literature Reference DOI 10.1021/jm1003073
Molecular Weight 494.649 g/mol
Solvent DMSO-D6
Source File Reference UWMZ46168