| SpectraBase Compound ID | B3BSsqGB4uZ |
|---|---|
| InChI | InChI=1S/C21H22N2O9/c1-12(24)7-8-16(26)30-11-14-18(32-20(28)13-5-3-2-4-6-13)17(27)19(31-14)23-10-9-15(25)22-21(23)29/h2-6,9-10,14,17-19,27H,7-8,11H2,1H3,(H,22,25,29)/t14-,17-,18-,19-/m1/s1 |
| InChIKey | WYRKPGFQXGETEX-UTRMSSBJSA-N |
| Mol Weight | 446.41 g/mol |
| Molecular Formula | C21H22N2O9 |
| Exact Mass | 446.13253 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 8tRHiNMKBUo |
|---|---|
| Name | 5'-o-(4-Oxopentanoyl)-3'-o-uridine |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 446.132530287 u |
| Formula | C21H22N2O9 |
| InChI | InChI=1S/C21H22N2O9/c1-12(24)7-8-16(26)30-11-14-18(32-20(28)13-5-3-2-4-6-13)17(27)19(31-14)23-10-9-15(25)22-21(23)29/h2-6,9-10,14,17-19,27H,7-8,11H2,1H3,(H,22,25,29)/t14-,17-,18-,19-/m1/s1 |
| InChIKey | WYRKPGFQXGETEX-UTRMSSBJSA-N |
| Molecular Weight | 446.412 g/mol |
| SMILES | [C@]1(N2C(=O)NC(=O)C=C2)(O[C@](COC(=O)CCC(=O)C)([C@]([C@]1(O)[H])(OC(C1=CC=CC=C1)=O)[H])[H])[H] |