| SpectraBase Compound ID | 9w0fjjYDG3V |
|---|---|
| InChI | InChI=1S/C19H23N5O6S/c1-11-2-4-12(5-3-11)31(28,29)7-6-20-17-14-18(22-9-21-17)24(10-23-14)19-16(27)15(26)13(8-25)30-19/h2-5,9-10,13,15-16,19,25-27H,6-8H2,1H3,(H,20,21,22)/t13-,15-,16-,19-/m0/s1 |
| InChIKey | FVVCDWBIICEKKD-FJXLLPKBSA-N |
| Mol Weight | 449.48 g/mol |
| Molecular Formula | C19H23N5O6S |
| Exact Mass | 449.136905 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 10wbEPR9xRj |
|---|---|
| Name | N-(6)-(4-TOLYLSULFONYLETHYL)_ADENOSINE;A-N6-TSE |
| Compound Number | 11 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C19H23N5O6S |
| InChI | InChI=1S/C19H23N5O6S/c1-11-2-4-12(5-3-11)31(28,29)7-6-20-17-14-18(22-9-21-17)24(10-23-14)19-16(27)15(26)13(8-25)30-19/h2-5,9-10,13,15-16,19,25-27H,6-8H2,1H3,(H,20,21,22)/t13-,15-,16-,19-/m0/s1 |
| InChIKey | FVVCDWBIICEKKD-FJXLLPKBSA-N |
| Literature Reference Author | C.ZHOU,W.PATHMASIRI,D.HONCHARENKO,S.CHATTERJEE,J.BARMAN,J.CH ATTOPADHYAYA |
| Literature Reference Citation | CAN.J.CHEM.,85,293(2007) |
| Literature Reference DOI | 10.1139/v07-025 |
| Molecular Weight | 449.482 g/mol |
| Solvent | CDCl3:CD3OD |
| Source File Reference | UWMZ46397 |