![9-[5-o-(Tert.-butyldimethylsilyl)-3-deoxy-3-fluoro-2-o-(phenoxythiocarbonyl)-beta-D-xylofuranosyl]-adenine](/api/spectrum/CtVpZugTIDo/structure.png?h=300&w=458 "9-[5-o-(Tert.-butyldimethylsilyl)-3-deoxy-3-fluoro-2-o-(phenoxythiocarbonyl)-beta-D-xylofuranosyl]-adenine")
| SpectraBase Compound ID | 4Cibj6o3enJ |
|---|---|
| InChI | InChI=1S/C23H30FN5O4SSi/c1-23(2,3)35(4,5)30-11-15-16(24)18(33-22(34)31-14-9-7-6-8-10-14)21(32-15)29-13-28-17-19(25)26-12-27-20(17)29/h6-10,12-13,15-16,18,21H,11H2,1-5H3,(H2,25,26,27)/t15-,16+,18-,21-/m1/s1 |
| InChIKey | DBTKCDVHMBWBAF-VWFIUDSGSA-N |
| Mol Weight | 519.67 g/mol |
| Molecular Formula | C23H30FN5O4SSi |
| Exact Mass | 519.17718 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | CtVpZugTIDo |
|---|---|
| Name | 9-[5-o-(Tert.-butyldimethylsilyl)-3-deoxy-3-fluoro-2-o-(phenoxythiocarbonyl)-beta-D-xylofuranosyl]-adenine |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 519.177180334 u |
| Formula | C23H30FN5O4SSi |
| InChI | InChI=1S/C23H30FN5O4SSi/c1-23(2,3)35(4,5)30-11-15-16(24)18(33-22(34)31-14-9-7-6-8-10-14)21(32-15)29-13-28-17-19(25)26-12-27-20(17)29/h6-10,12-13,15-16,18,21H,11H2,1-5H3,(H2,25,26,27)/t15-,16+,18-,21-/m1/s1 |
| InChIKey | DBTKCDVHMBWBAF-VWFIUDSGSA-N |
| Molecular Weight | 519.667 g/mol |
| SMILES | [C@]1(F)([C@]([C@](N2C=NC=3C(N)=NC=NC23)(O[C@@]1(CO[Si](C(C)(C)C)(C)C)[H])[H])(OC(=S)OC1=CC=CC=C1)[H])[H] |