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7-BENZYL-5-(3,5-DIMETHYLPHENYL)-4-(PHENYLSULFANYL)-7H-PYRROLO-[2,3-D]-PYRIMIDINE
SpectraBase Compound ID 3o20twAU98p
InChI InChI=1S/C27H23N3S/c1-19-13-20(2)15-22(14-19)24-17-30(16-21-9-5-3-6-10-21)26-25(24)27(29-18-28-26)31-23-11-7-4-8-12-23/h3-15,17-18H,16H2,1-2H3
InChIKey YFNHURQAPIKGSP-UHFFFAOYSA-N
Mol Weight 421.56 g/mol
Molecular Formula C27H23N3S
Exact Mass 421.161269 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID A2jkZq7wDPT
Name 7-BENZYL-5-(3,5-DIMETHYLPHENYL)-4-(PHENYLSULFANYL)-7H-PYRROLO-[2,3-D]-PYRIMIDINE
Compound Number 4C
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C27H23N3S
InChI InChI=1S/C27H23N3S/c1-19-13-20(2)15-22(14-19)24-17-30(16-21-9-5-3-6-10-21)26-25(24)27(29-18-28-26)31-23-11-7-4-8-12-23/h3-15,17-18H,16H2,1-2H3
InChIKey YFNHURQAPIKGSP-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 421.560 g/mol
Solvent CDCl3
Source File Reference UWLU85453