| SpectraBase Compound ID | 7Tqa1S0hOU |
|---|---|
| InChI | InChI=1S/C17H21N6O5PS/c18-15-13-16(21-8-20-15)23(9-22-13)17-14(24)12(11(28-17)7-27-29(25,26)30)19-6-10-4-2-1-3-5-10/h1-5,8-9,11-12,14,17,19,24H,6-7H2,(H2,18,20,21)(H2,25,26,30)/p-2 |
| InChIKey | VHPLWHHRJFYXQU-UHFFFAOYSA-L |
| Mol Weight | 450.41 g/mol |
| Molecular Formula | C17H19N6O5PS |
| Exact Mass | 450.087526 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | D33kLuI0Uq6 |
|---|---|
| Name | 3'-Benzylamino-3'-deoxyadenosine-5'-thionophosphate |
| Copyright | Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved. |
| Formula | C17H19N6O5PS |
| InChI | InChI=1S/C17H21N6O5PS/c18-15-13-16(21-8-20-15)23(9-22-13)17-14(24)12(11(28-17)7-27-29(25,26)30)19-6-10-4-2-1-3-5-10/h1-5,8-9,11-12,14,17,19,24H,6-7H2,(H2,18,20,21)(H2,25,26,30)/p-2 |
| InChIKey | VHPLWHHRJFYXQU-UHFFFAOYSA-L |
| Instrument Name | Varian CFT-20 |
| Literature Reference | M. Morr, L. Ernst, Chem. Ber. 111, 2152 (1978). |
| NMR Standard | TMS |
| Origin | Chemical Concepts. A Wiley Division. Weinheim, Germany |
| Solvent | D2O |