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4-Chloro-2-methylthio-7-(2,3,5-tri-O-benzyl-A-D-arabino-furanosyl)-pyrrolo(2,3-D)pyrimidine

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4-Chloro-2-methylthio-7-(2,3,5-tri-O-benzyl-A-D-arabino-furanosyl)-pyrrolo(2,3-D)pyrimidine
SpectraBase Compound ID 6ZtbTzBNbJj
InChI InChI=1S/C33H32ClN3O4S/c1-42-33-35-30(34)26-17-18-37(31(26)36-33)32-29(40-21-25-15-9-4-10-16-25)28(39-20-24-13-7-3-8-14-24)27(41-32)22-38-19-23-11-5-2-6-12-23/h2-18,27-29,32H,19-22H2,1H3
InChIKey NNPYEUOFJXEHQN-UHFFFAOYSA-N
Mol Weight 602.1 g/mol
Molecular Formula C33H32ClN3O4S
Exact Mass 601.180205 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID BHyXq3Ju5i5
Name 4-Chloro-2-methylthio-7-(2,3,5-tri-O-benzyl-B-D-arabino-furanosyl)-pyrrolo(2,3-D)pyrimidine
CAS Registry Number 70550-63-9
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C33H32ClN3O4S
InChI InChI=1S/C33H32ClN3O4S/c1-42-33-35-30(34)26-17-18-37(31(26)36-33)32-29(40-21-25-15-9-4-10-16-25)28(39-20-24-13-7-3-8-14-24)27(41-32)22-38-19-23-11-5-2-6-12-23/h2-18,27-29,32H,19-22H2,1H3
InChIKey NNPYEUOFJXEHQN-UHFFFAOYSA-N
Instrument Name Bruker HX-60
Literature Reference H. Winkeler, F. Seela, Chem. Ber. 113, 2069 (1980).
NMR Standard TMS
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent DMSO-D6