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2-CHLORO-6-METHYL-9-[3,5-BIS-O-(4-TOLUOYL)-2-DEOXY-BETA-D-ERYTROPENTOFURANOSYL]-PURINE
SpectraBase Compound ID 9QMUvd8y92p
InChI InChI=1S/C27H25ClN4O5/c1-15-4-8-18(9-5-15)25(33)35-13-21-20(37-26(34)19-10-6-16(2)7-11-19)12-22(36-21)32-14-29-23-17(3)30-27(28)31-24(23)32/h4-11,14,20-22H,12-13H2,1-3H3/t20-,21+,22+/m1/s1
InChIKey FESKNCDHLKRGHH-FSSWDIPSSA-N
Mol Weight 520.97 g/mol
Molecular Formula C27H25ClN4O5
Exact Mass 520.151348 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID B6kGhMun9br
Name 2-CHLORO-6-METHYL-9-[3,5-BIS-O-(4-TOLUOYL)-2-DEOXY-BETA-D-ERYTROPENTOFURANOSYL]-PURINE
Compound Number 2D
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C27H25ClN4O5
InChI InChI=1S/C27H25ClN4O5/c1-15-4-8-18(9-5-15)25(33)35-13-21-20(37-26(34)19-10-6-16(2)7-11-19)12-22(36-21)32-14-29-23-17(3)30-27(28)31-24(23)32/h4-11,14,20-22H,12-13H2,1-3H3/t20-,21+,22+/m1/s1
InChIKey FESKNCDHLKRGHH-FSSWDIPSSA-N
Literature Reference Author M.HOCEK,H.DVORAKOVA
Literature Reference Citation J.ORG.CHEM.,68,5773(2003)
Literature Reference DOI 10.1021/jo034351i
Molecular Weight 520.972 g/mol
Solvent CDCl3
Source File Reference UWLU24299