![8-AMINO-[1''-(N''-DANSYL)-4''-AMINOBUTYL]-5'-(1-AZIRIDINYL)-5'-DEOXYADENOSINE](/api/spectrum/3uzQX6hiIoc/structure.png?h=300&w=458 "8-AMINO-[1''-(N''-DANSYL)-4''-AMINOBUTYL]-5'-(1-AZIRIDINYL)-5'-DEOXYADENOSINE")
| SpectraBase Compound ID | L5pDavFDkv2 |
|---|---|
| InChI | InChI=1S/C28H37N9O5S/c1-35(2)19-9-5-8-18-17(19)7-6-10-21(18)43(40,41)33-12-4-3-11-30-28-34-22-25(29)31-16-32-26(22)37(28)27-24(39)23(38)20(42-27)15-36-13-14-36/h5-10,16,20,23-24,27,33,38-39H,3-4,11-15H2,1-2H3,(H,30,34)(H2,29,31,32)/t20-,23-,24-,27-/m0/s1 |
| InChIKey | VGZRGCLUYTZVPR-GGHZGINBSA-N |
| Mol Weight | 611.7 g/mol |
| Molecular Formula | C28H37N9O5S |
| Exact Mass | 611.263836 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 3uzQX6hiIoc |
|---|---|
| Name | 8-AMINO-[1''-(N''-DANSYL)-4''-AMINOBUTYL]-5'-(1-AZIRIDINYL)-5'-DEOXYADENOSINE |
| Compound Number | 3 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C28H37N9O5S |
| InChI | InChI=1S/C28H37N9O5S/c1-35(2)19-9-5-8-18-17(19)7-6-10-21(18)43(40,41)33-12-4-3-11-30-28-34-22-25(29)31-16-32-26(22)37(28)27-24(39)23(38)20(42-27)15-36-13-14-36/h5-10,16,20,23-24,27,33,38-39H,3-4,11-15H2,1-2H3,(H,30,34)(H2,29,31,32)/t20-,23-,24-,27-/m0/s1 |
| InChIKey | VGZRGCLUYTZVPR-GGHZGINBSA-N |
| Literature Reference Author | G.PLJEVALJCIC,M.PIGNOT,E.WEINHOLD |
| Literature Reference Citation | J.AM.CHEM.SOC.,125,3486(2003) |
| Literature Reference DOI | 10.1021/ja021106s |
| Molecular Weight | 611.719 g/mol |
| Sample ID | 40810 |
| Solvent | DMSO-D6 |