![N(6)-BENZOYL-9-[2',3'-DIDEOXY-2',3'-N-BIS-(TRIFLUOROACETYL)-ALPHA-L-THREO-FURANOSYL]-ADENINE](/api/spectrum/LowFhfj30fj/structure.png?h=300&w=458 "N(6)-BENZOYL-9-[2',3'-DIDEOXY-2',3'-N-BIS-(TRIFLUOROACETYL)-ALPHA-L-THREO-FURANOSYL]-ADENINE")
| SpectraBase Compound ID | BAdjYFEOlIe |
|---|---|
| InChI | InChI=1S/C20H15F6N7O4/c21-19(22,23)17(35)30-10-6-37-16(11(10)31-18(36)20(24,25)26)33-8-29-12-13(27-7-28-14(12)33)32-15(34)9-4-2-1-3-5-9/h1-5,7-8,10-11,16H,6H2,(H,30,35)(H,31,36)(H,27,28,32,34)/t10-,11+,16+/m1/s1 |
| InChIKey | JMVWTVUIFQIGLG-GDLVEWKHSA-N |
| Mol Weight | 531.38 g/mol |
| Molecular Formula | C20H15F6N7O4 |
| Exact Mass | 531.108971 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | LowFhfj30fj |
|---|---|
| Name | N(6)-BENZOYL-9-[2',3'-DIDEOXY-2',3'-N-BIS-(TRIFLUOROACETYL)-ALPHA-L-THREO-FURANOSYL]-ADENINE |
| Compound Number | 31 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C20H15F6N7O4 |
| InChI | InChI=1S/C20H15F6N7O4/c21-19(22,23)17(35)30-10-6-37-16(11(10)31-18(36)20(24,25)26)33-8-29-12-13(27-7-28-14(12)33)32-15(34)9-4-2-1-3-5-9/h1-5,7-8,10-11,16H,6H2,(H,30,35)(H,31,36)(H,27,28,32,34)/t10-,11+,16+/m1/s1 |
| InChIKey | JMVWTVUIFQIGLG-GDLVEWKHSA-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 | 531.374 g/mol |
| Solvent | DMSO-D6 |
| Source File Reference | UWMS21526 |