![N(6)-BENZOYL-9-[3'-O-ACETYL-2'-DEOXY-2'-N-(TRIFLUOROACETYL)-ALPHA-L-THREO-FURANOSYL]-ADENINE](/api/spectrum/5Ap9OAgjcRU/structure.png?h=300&w=458 "N(6)-BENZOYL-9-[3'-O-ACETYL-2'-DEOXY-2'-N-(TRIFLUOROACETYL)-ALPHA-L-THREO-FURANOSYL]-ADENINE")
| SpectraBase Compound ID | 7QcwQsay47P |
|---|---|
| InChI | InChI=1S/C20H17F3N6O5/c1-10(30)34-12-7-33-18(13(12)27-19(32)20(21,22)23)29-9-26-14-15(24-8-25-16(14)29)28-17(31)11-5-3-2-4-6-11/h2-6,8-9,12-13,18H,7H2,1H3,(H,27,32)(H,24,25,28,31)/t12-,13+,18+/m1/s1 |
| InChIKey | WKBUPWMCSUBFLX-VBHSOAQHSA-N |
| Mol Weight | 478.39 g/mol |
| Molecular Formula | C20H17F3N6O5 |
| Exact Mass | 478.121252 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 5Ap9OAgjcRU |
|---|---|
| Name | N(6)-BENZOYL-9-[3'-O-ACETYL-2'-DEOXY-2'-N-(TRIFLUOROACETYL)-ALPHA-L-THREO-FURANOSYL]-ADENINE |
| Compound Number | 16 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C20H17F3N6O5 |
| InChI | InChI=1S/C20H17F3N6O5/c1-10(30)34-12-7-33-18(13(12)27-19(32)20(21,22)23)29-9-26-14-15(24-8-25-16(14)29)28-17(31)11-5-3-2-4-6-11/h2-6,8-9,12-13,18H,7H2,1H3,(H,27,32)(H,24,25,28,31)/t12-,13+,18+/m1/s1 |
| InChIKey | WKBUPWMCSUBFLX-VBHSOAQHSA-N |
| Literature Reference Author | M.FERENCIC,G.REDDY,X.WU,S.GUNTHA,J.NANDY,R.KRISHNAMURTHY,A.E SCHENMOSER |
| Literature Reference Citation | CHEM.BIODIV.,1,939(2004) |
| Literature Reference DOI | 10.1002/cbdv.200490083 |
| Molecular Weight | 478.387 g/mol |
| Solvent | DMSO-D6 |
| Source File Reference | UWMS21508 |