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7-BENZYL-5-IODO-4-(PHENYLSULFANYL)-7H-PYRROLO-[2,3-D]-PYRIMIDINE
SpectraBase Compound ID MaqjNqUGHK
InChI InChI=1S/C19H14IN3S/c20-16-12-23(11-14-7-3-1-4-8-14)18-17(16)19(22-13-21-18)24-15-9-5-2-6-10-15/h1-10,12-13H,11H2
InChIKey JMXKSBNEPROHQU-UHFFFAOYSA-N
Mol Weight 443.31 g/mol
Molecular Formula C19H14IN3S
Exact Mass 442.995314 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 2B2NqF7yU0z
Name 7-BENZYL-5-IODO-4-(PHENYLSULFANYL)-7H-PYRROLO-[2,3-D]-PYRIMIDINE
Compound Number 3
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C19H14IN3S
InChI InChI=1S/C19H14IN3S/c20-16-12-23(11-14-7-3-1-4-8-14)18-17(16)19(22-13-21-18)24-15-9-5-2-6-10-15/h1-10,12-13H,11H2
InChIKey JMXKSBNEPROHQU-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 443.305 g/mol
Solvent CDCl3
Source File Reference UWLU85450