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2-BROMO-9-[2'-DEOXY-5'-O-(4,4'-DIMETHOXYTRITYL)-BETA-D-ERYTHRO-PENTOFURANOSYL]-6-([(DIMETHYLAMINO)-METHYLIDENE]-AMINO)-9H-PURINE

View entire compound with spectra: 1 NMR

2-BROMO-9-[2'-DEOXY-5'-O-(4,4'-DIMETHOXYTRITYL)-BETA-D-ERYTHRO-PENTOFURANOSYL]-6-([(DIMETHYLAMINO)-METHYLIDENE]-AMINO)-9H-PURINE
SpectraBase Compound ID 1bYgld3eiBp
InChI InChI=1S/C34H35BrN6O5/c1-40(2)20-37-31-30-32(39-33(35)38-31)41(21-36-30)29-18-27(42)28(46-29)19-45-34(22-8-6-5-7-9-22,23-10-14-25(43-3)15-11-23)24-12-16-26(44-4)17-13-24/h5-17,20-21,27-29,42H,18-19H2,1-4H3/b37-20+/t27-,28+,29+/m0/s1
InChIKey ZMNUKVAZZIOWIN-DPYAOQDBSA-N
Mol Weight 687.6 g/mol
Molecular Formula C34H35BrN6O5
Exact Mass 686.185231 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID BXujgTUqJN0
Name 2-BROMO-9-[2'-DEOXY-5'-O-(4,4'-DIMETHOXYTRITYL)-BETA-D-ERYTHRO-PENTOFURANOSYL]-6-([(DIMETHYLAMINO)-METHYLIDENE]-AMINO)-9H-PURINE
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C34H35BrN6O5
InChI InChI=1S/C34H35BrN6O5/c1-40(2)20-37-31-30-32(39-33(35)38-31)41(21-36-30)29-18-27(42)28(46-29)19-45-34(22-8-6-5-7-9-22,23-10-14-25(43-3)15-11-23)24-12-16-26(44-4)17-13-24/h5-17,20-21,27-29,42H,18-19H2,1-4H3/b37-20+/t27-,28+,29+/m0/s1
InChIKey ZMNUKVAZZIOWIN-DPYAOQDBSA-N
Literature Reference Author F.SEELA,R.MERTENS,Z.KAZIMIERCZUK
Literature Reference Citation HELV.CHIM.ACTA,75,2298(1992)
Literature Reference DOI 10.1002/hlca.19920750716
Molecular Weight 687.593 g/mol
Solvent DMSO-D6
Source File Reference UWCS7969