| SpectraBase Compound ID | 3GcqAzuAi0n |
|---|---|
| InChI | InChI=1S/C26H33Cl2N2O12P.C4H11N/c27-17-8-7-16(13-18(17)28)38-15-39-43(33,34)42-23-19(14-37-21-5-1-3-11-35-21)40-25(30-10-9-20(31)29-26(30)32)24(23)41-22-6-2-4-12-36-22;1-4(2,3)5/h7-10,13,19,21-25H,1-6,11-12,14-15H2,(H,33,34)(H,29,31,32);5H2,1-3H3/t19-,21?,22?,23-,24-,25-;/m0./s1 |
| InChIKey | IDGAFQFHVFQDHS-SHZKZJQPSA-N |
| Mol Weight | 740.6 g/mol |
| Molecular Formula | C30H44Cl2N3O12P |
| Exact Mass | 739.203966 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | BHhFcExqLtn |
|---|---|
| Name | Tert.-BUTYLAMMONIUM_SALT_OF_3,4-DICHLOROPHENOXYMETHYL_2',5'-di-o-tetrahydropyran-2-yl-3'-o-uridine_phosphate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 739.203966255 u |
| Formula | C30H44Cl2N3O12P |
| InChI | InChI=1S/C26H33Cl2N2O12P.C4H11N/c27-17-8-7-16(13-18(17)28)38-15-39-43(33,34)42-23-19(14-37-21-5-1-3-11-35-21)40-25(30-10-9-20(31)29-26(30)32)24(23)41-22-6-2-4-12-36-22;1-4(2,3)5/h7-10,13,19,21-25H,1-6,11-12,14-15H2,(H,33,34)(H,29,31,32);5H2,1-3H3/t19-,21?,22?,23-,24-,25-;/m0./s1 |
| InChIKey | IDGAFQFHVFQDHS-SHZKZJQPSA-N |
| Molecular Weight | 740.571 g/mol |
| SMILES | C([NH3+])(C)(C)C.C1(=O)C=CN(C(N1)=O)[C@@]1([C@@](OC2CCCCO2)([C@@](OP([O-])(=O)OCOC2=CC(Cl)=C(Cl)C=C2)([C@@](O1)(COC1CCCCO1)[H])[H])[H])[H] |