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7-[2'-DEOXY-3'-O-(PARA-TOLUOYL)-BETA-D-ERYTHRO-PENTOFURANOSYL]-4-(METHYLAMINO)-7H-PYRROLO-[2,3-D]-PYRIMIDINE
SpectraBase Compound ID Jk7qDN1KCXs
InChI InChI=1S/C20H22N4O4/c1-12-3-5-13(6-4-12)20(26)28-15-9-17(27-16(15)10-25)24-8-7-14-18(21-2)22-11-23-19(14)24/h3-8,11,15-17,25H,9-10H2,1-2H3,(H,21,22,23)/t15-,16+,17+/m1/s1
InChIKey QHKIRLKTVKJRTF-IKGGRYGDSA-N
Mol Weight 382.42 g/mol
Molecular Formula C20H22N4O4
Exact Mass 382.164105 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 88kzl4a56sK
Name 7-[2'-DEOXY-3'-O-(PARA-TOLUOYL)-BETA-D-ERYTHRO-PENTOFURANOSYL]-4-(METHYLAMINO)-7H-PYRROLO-[2,3-D]-PYRIMIDINE
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C20H22N4O4
InChI InChI=1S/C20H22N4O4/c1-12-3-5-13(6-4-12)20(26)28-15-9-17(27-16(15)10-25)24-8-7-14-18(21-2)22-11-23-19(14)24/h3-8,11,15-17,25H,9-10H2,1-2H3,(H,21,22,23)/t15-,16+,17+/m1/s1
InChIKey QHKIRLKTVKJRTF-IKGGRYGDSA-N
Literature Reference Author F.SEELA,K.KAISER,U.BINDIG
Literature Reference Citation HELV.CHIM.ACTA,72,868(1989)
Literature Reference DOI 10.1002/hlca.19890720503
Molecular Weight 382.419 g/mol
Solvent DMSO-D6
Source File Reference UWED14065