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2-Amino-4-butoxy-7-(2-deoxy-3,5-di-O-[4-toluoyl]-B-D-erythro-pentafuranosyl)-7H-pyrrolo(2,3-D)pyrimidine
SpectraBase Compound ID 9GtWGd7U8GI
InChI InChI=1S/C31H34N4O6/c1-4-5-16-38-28-23-14-15-35(27(23)33-31(32)34-28)26-17-24(41-30(37)22-12-8-20(3)9-13-22)25(40-26)18-39-29(36)21-10-6-19(2)7-11-21/h6-15,24-26H,4-5,16-18H2,1-3H3,(H2,32,33,34)
InChIKey SQIUUJIXFYGPDF-UHFFFAOYSA-N
Mol Weight 558.6 g/mol
Molecular Formula C31H34N4O6
Exact Mass 558.247835 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID EPLYshXH3iZ
Name 2-Amino-4-butoxy-7-(2-deoxy-3,5-di-O-[4-toluoyl]-A-D-erythro-pentofuranosyl)-7H-pyrrolo(2,3-D)pyrimidine
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C31H34N4O6
InChI InChI=1S/C31H34N4O6/c1-4-5-16-38-28-23-14-15-35(27(23)33-31(32)34-28)26-17-24(41-30(37)22-12-8-20(3)9-13-22)25(40-26)18-39-29(36)21-10-6-19(2)7-11-21/h6-15,24-26H,4-5,16-18H2,1-3H3,(H2,32,33,34)
InChIKey SQIUUJIXFYGPDF-UHFFFAOYSA-N
Instrument Name Bruker AC-250
Literature Reference F. Seela, B. Westermann, U. Bindig, J. Chem. Soc. Perkin I 697 (1988).
NMR Standard TMS
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent DMSO-D6