John Wiley & Sons, Inc. SpectraBase; SpectraBase Compound ID=5hRq4gcqH6J SpectraBase Spectrum ID=Cmm9d6ukBjp

(accessed ).
2-Amino-4-chloro-7-(2-deoxy-3,5-di-O-[4-toluoyl]-B-erythro-pentofuranosyl)-7H-pyrrolo(2,3-D)pyrimidine
SpectraBase Compound ID 5hRq4gcqH6J
InChI InChI=1S/C27H25ClN4O5/c1-15-3-7-17(8-4-15)25(33)35-14-21-20(37-26(34)18-9-5-16(2)6-10-18)13-22(36-21)32-12-11-19-23(28)30-27(29)31-24(19)32/h3-12,20-22H,13-14H2,1-2H3,(H2,29,30,31)
InChIKey IEHUSIDAKYJMAW-UHFFFAOYSA-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 Cmm9d6ukBjp
Name 2-Amino-4-chloro-7-(2-deoxy-3,5-di-O-[4-toluoyl]-B-erythro-pentofuranosyl)-7H-pyrrolo(2,3-D)pyrimidine
Copyright Copyright © 2002-2021 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C27H25ClN4O5
InChI InChI=1S/C27H25ClN4O5/c1-15-3-7-17(8-4-15)25(33)35-14-21-20(37-26(34)18-9-5-16(2)6-10-18)13-22(36-21)32-12-11-19-23(28)30-27(29)31-24(19)32/h3-12,20-22H,13-14H2,1-2H3,(H2,29,30,31)
InChIKey IEHUSIDAKYJMAW-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
SpectraBase Batch ID Iz4KSMMGLs2