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3-BROMO-1-(2-DEOXY-2-FLUORO-3,5-DI-O-BENZOYL-BETA-D-ARABINOFURANOSYL)-4-ISOPROPOXY-1H-PYRAZOLO-[3.4-D]-PYRIMIDIN-6-AMINE
SpectraBase Compound ID DKiwTjXGCrp
InChI InChI=1S/C27H25BrFN5O6/c1-14(2)38-23-18-21(28)33-34(22(18)31-27(30)32-23)24-19(29)20(40-26(36)16-11-7-4-8-12-16)17(39-24)13-37-25(35)15-9-5-3-6-10-15/h3-12,14,17,19-20,24H,13H2,1-2H3,(H2,30,31,32)/t17-,19+,20-,24-/m1/s1
InChIKey VOQRCMCDPMLWST-SSYAZSBWSA-N
Mol Weight 614.43 g/mol
Molecular Formula C27H25BrFN5O6
Exact Mass 613.097225 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 9enrb9S89Zg
Name 3-BROMO-1-(2-DEOXY-2-FLUORO-3,5-DI-O-BENZOYL-BETA-D-ARABINOFURANOSYL)-4-ISOPROPOXY-1H-PYRAZOLO-[3.4-D]-PYRIMIDIN-6-AMINE
Compound Number 7
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C27H25BrFN5O6
InChI InChI=1S/C27H25BrFN5O6/c1-14(2)38-23-18-21(28)33-34(22(18)31-27(30)32-23)24-19(29)20(40-26(36)16-11-7-4-8-12-16)17(39-24)13-37-25(35)15-9-5-3-6-10-15/h3-12,14,17,19-20,24H,13H2,1-2H3,(H2,30,31,32)/t17-,19+,20-,24-/m1/s1
InChIKey VOQRCMCDPMLWST-SSYAZSBWSA-N
Literature Reference Author J.HE,I.MIKHAILOPULO,F.SEELA
Literature Reference Citation J.ORG.CHEM.,68,5519(2003)
Literature Reference DOI 10.1021/jo030051p
Molecular Weight 614.428 g/mol
Solvent DMSO-D6
Source File Reference UWVN25339