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7-BENZYL-5-(4-METHOXYPHENYL)-4-(PHENYLSULFANYL)-7H-PYRROLO-[2,3-D]-PYRIMIDINE
SpectraBase Compound ID DsaxfT07QsH
InChI InChI=1S/C26H21N3OS/c1-30-21-14-12-20(13-15-21)23-17-29(16-19-8-4-2-5-9-19)25-24(23)26(28-18-27-25)31-22-10-6-3-7-11-22/h2-15,17-18H,16H2,1H3
InChIKey MCVYOEAFBNAYEI-UHFFFAOYSA-N
Mol Weight 423.53 g/mol
Molecular Formula C26H21N3OS
Exact Mass 423.140533 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 6Hg0oO2oIs5
Name 7-BENZYL-5-(4-METHOXYPHENYL)-4-(PHENYLSULFANYL)-7H-PYRROLO-[2,3-D]-PYRIMIDINE
Compound Number 4B
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C26H21N3OS
InChI InChI=1S/C26H21N3OS/c1-30-21-14-12-20(13-15-21)23-17-29(16-19-8-4-2-5-9-19)25-24(23)26(28-18-27-25)31-22-10-6-3-7-11-22/h2-15,17-18H,16H2,1H3
InChIKey MCVYOEAFBNAYEI-UHFFFAOYSA-N
Literature Reference Author M.KROEMER,M.KLEKA,L.SLAVETINSKA,B.KLEPETAROVA,M.HOCEK
Literature Reference Citation EUR.J.ORG.CHEM.,2014,7203(2014)
Literature Reference DOI 10.1002/ejoc.201402882
Molecular Weight 423.532 g/mol
Solvent CDCl3
Source File Reference UWLU85452