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9-BENZYL-2-CHLORO-6-[(PHENYL)-(4-NITROBENZOYLOXY)-METHYL]-PURINE

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9-BENZYL-2-CHLORO-6-[(PHENYL)-(4-NITROBENZOYLOXY)-METHYL]-PURINE
SpectraBase Compound ID CQ0VBlTmWD3
InChI InChI=1S/C26H18ClN5O4/c27-26-29-21(22-24(30-26)31(16-28-22)15-17-7-3-1-4-8-17)23(18-9-5-2-6-10-18)36-25(33)19-11-13-20(14-12-19)32(34)35/h1-14,16,23H,15H2
InChIKey SKBKLOHTTVOPBB-UHFFFAOYSA-N
Mol Weight 499.91 g/mol
Molecular Formula C26H18ClN5O4
Exact Mass 499.104732 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 6QteogwVimL
Name 9-BENZYL-2-CHLORO-6-[(PHENYL)-(4-NITROBENZOYLOXY)-METHYL]-PURINE
Compound Number 6
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C26H18ClN5O4
InChI InChI=1S/C26H18ClN5O4/c27-26-29-21(22-24(30-26)31(16-28-22)15-17-7-3-1-4-8-17)23(18-9-5-2-6-10-18)36-25(33)19-11-13-20(14-12-19)32(34)35/h1-14,16,23H,15H2
InChIKey SKBKLOHTTVOPBB-UHFFFAOYSA-N
Literature Reference Author T.TOBRMAN,D.DVORAK
Literature Reference Citation ORG.LETTERS,8,1291(2006)
Literature Reference DOI 10.1021/ol053013w
Molecular Weight 499.913 g/mol
Sample ID 40018
Solvent CDCl3