![9-.beta.-[tri-o-Benzyl-D-arabinofuranosyl]adenine N-benzoate](/api/spectrum/2M2edZyUAwW/structure.png?h=300&w=458 "9-.beta.-[tri-o-Benzyl-D-arabinofuranosyl]adenine N-benzoate")
| SpectraBase Compound ID | LDdaNj4Qvfj |
|---|---|
| InChI | InChI=1S/C38H35N5O5/c44-37(30-19-11-4-12-20-30)42-35-32-36(40-25-39-35)43(26-41-32)38-34(47-23-29-17-9-3-10-18-29)33(46-22-28-15-7-2-8-16-28)31(48-38)24-45-21-27-13-5-1-6-14-27/h1-20,25-26,31,33-34,38H,21-24H2,(H,39,40,42,44)/t31-,33-,34+,38-/m1/s1 |
| InChIKey | JADCHGLPRATGJZ-ZREGFMNJSA-N |
| Mol Weight | 641.7 g/mol |
| Molecular Formula | C38H35N5O5 |
| Exact Mass | 641.263819 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 2M2edZyUAwW |
|---|---|
| Name | 9-.beta.-[tri-o-Benzyl-D-arabinofuranosyl]adenine N-benzoate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 641.263819242 u |
| Formula | C38H35N5O5 |
| InChI | InChI=1S/C38H35N5O5/c44-37(30-19-11-4-12-20-30)42-35-32-36(40-25-39-35)43(26-41-32)38-34(47-23-29-17-9-3-10-18-29)33(46-22-28-15-7-2-8-16-28)31(48-38)24-45-21-27-13-5-1-6-14-27/h1-20,25-26,31,33-34,38H,21-24H2,(H,39,40,42,44)/t31-,33-,34+,38-/m1/s1 |
| InChIKey | JADCHGLPRATGJZ-ZREGFMNJSA-N |
| Molecular Weight | 641.728 g/mol |
| SMILES | C1(=NC=NC2=C1N=CN2[C@@]1(O[C@@]([C@@](OCC=2C=CC=CC2)([C@@]1(OCC1=CC=CC=C1)[H])[H])(COCC1=CC=CC=C1)[H])[H])NC(=O)C1=CC=CC=C1 |