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6-CHLORO-9-ISOPROPYL-2-[(3-NITROPHENYL)-(4-NITROBENZOYLOXY)-METHYL]-PURINE
SpectraBase Compound ID 2Aj9Zx3jPCW
InChI InChI=1S/C22H18ClN5O4/c1-13(2)27-12-24-17-19(23)25-20(26-21(17)27)18(14-6-4-3-5-7-14)32-22(29)15-8-10-16(11-9-15)28(30)31/h3-13,18H,1-2H3
InChIKey UABOXFMSKKOOHN-UHFFFAOYSA-N
Mol Weight 451.87 g/mol
Molecular Formula C22H18ClN5O4
Exact Mass 451.104732 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 74pNggRfYlx
Name 6-CHLORO-9-ISOPROPYL-2-[(3-NITROPHENYL)-(4-NITROBENZOYLOXY)-METHYL]-PURINE
Compound Number 2A
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C22H18ClN5O4
InChI InChI=1S/C22H18ClN5O4/c1-13(2)27-12-24-17-19(23)25-20(26-21(17)27)18(14-6-4-3-5-7-14)32-22(29)15-8-10-16(11-9-15)28(30)31/h3-13,18H,1-2H3
InChIKey UABOXFMSKKOOHN-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 451.869 g/mol
Sample ID 40010
Solvent CDCl3