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2-(4,6-DIPHENETHOXYPYRIMIDIN-2-YLTHIO)-HEXANOIC-ACID

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2-(4,6-DIPHENETHOXYPYRIMIDIN-2-YLTHIO)-HEXANOIC-ACID
SpectraBase Compound ID 869aGtxQE8N
InChI InChI=1S/C26H30N2O4S/c1-2-3-14-22(25(29)30)33-26-27-23(31-17-15-20-10-6-4-7-11-20)19-24(28-26)32-18-16-21-12-8-5-9-13-21/h4-13,19,22H,2-3,14-18H2,1H3,(H,29,30)
InChIKey KYRBYBXVVWQIJQ-UHFFFAOYSA-N
Mol Weight 466.6 g/mol
Molecular Formula C26H30N2O4S
Exact Mass 466.192629 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID A9Dka9jQkWf
Name 2-(4,6-DIPHENETHOXYPYRIMIDIN-2-YLTHIO)-HEXANOIC-ACID
Compound Number 8
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C26H30N2O4S
InChI InChI=1S/C26H30N2O4S/c1-2-3-14-22(25(29)30)33-26-27-23(31-17-15-20-10-6-4-7-11-20)19-24(28-26)32-18-16-21-12-8-5-9-13-21/h4-13,19,22H,2-3,14-18H2,1H3,(H,29,30)
InChIKey KYRBYBXVVWQIJQ-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 466.595 g/mol
Solvent DMSO-D6
Source File Reference UWMZ46169