![1-[[3'S-Hydroxy-2'R-butoxy]methyl]thymine, 1'-ethyl hydrogenphosphate](/api/spectrum/1ypfZltnq45/structure.png?h=300&w=458 "1-[[3'S-Hydroxy-2'R-butoxy]methyl]thymine, 1'-ethyl hydrogenphosphate")
| SpectraBase Compound ID | 942HIWN9J6Z |
|---|---|
| InChI | InChI=1S/C12H21N2O8P/c1-4-21-23(18,19)22-6-10(9(3)15)20-7-14-5-8(2)11(16)13-12(14)17/h5,9-10,15H,4,6-7H2,1-3H3,(H,18,19)(H,13,16,17) |
| InChIKey | BTXMAYAVDLYWIZ-UHFFFAOYSA-N |
| Mol Weight | 352.28 g/mol |
| Molecular Formula | C12H21N2O8P |
| Exact Mass | 352.103553 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 1ypfZltnq45 |
|---|---|
| Name | 1-[[3'S-Hydroxy-2'R-butoxy]methyl]thymine, 1'-ethyl hydrogenphosphate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 352.103552634 u |
| Formula | C12H21N2O8P |
| InChI | InChI=1S/C12H21N2O8P/c1-4-21-23(18,19)22-6-10(9(3)15)20-7-14-5-8(2)11(16)13-12(14)17/h5,9-10,15H,4,6-7H2,1-3H3,(H,18,19)(H,13,16,17) |
| InChIKey | BTXMAYAVDLYWIZ-UHFFFAOYSA-N |
| Molecular Weight | 352.280 g/mol |
| SMILES | C(C(C)O)(OCN1C(NC(C(=C1)C)=O)=O)COP(=O)(O)OCC |