| SpectraBase Compound ID | 2ueAI9S7saj |
|---|---|
| InChI | InChI=1S/C48H57N6O11P/c1-35(55)62-31-41(52-29-27-43(56)50-45(52)58)33-64-66(61,54(40-25-15-6-16-26-40)47(60)49-39-23-13-5-14-24-39)65-34-42(53-30-28-44(57)51-46(53)59)32-63-48(36-17-7-2-8-18-36,37-19-9-3-10-20-37)38-21-11-4-12-22-38/h2-4,7-12,17-22,27-30,39-42H,5-6,13-16,23-26,31-34H2,1H3,(H,49,60)(H,50,56,58)(H,51,57,59) |
| InChIKey | FLARPLJOEIIDJC-UHFFFAOYSA-N |
| Mol Weight | 925.0 g/mol |
| Molecular Formula | C48H57N6O11P |
| Exact Mass | 924.382294 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | j3BelpI2Wx |
|---|---|
| Name | o-(2-Uracilo-3-trityloxypropyl)-o-(2-uracilo-3-acetoxypropyl)-N-(cyclohexylaminocarbonyl)-N-cyclohexylamidophosphate (diastereomer mixture) |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 924.382293666 u |
| Formula | C48H57N6O11P |
| InChI | InChI=1S/C48H57N6O11P/c1-35(55)62-31-41(52-29-27-43(56)50-45(52)58)33-64-66(61,54(40-25-15-6-16-26-40)47(60)49-39-23-13-5-14-24-39)65-34-42(53-30-28-44(57)51-46(53)59)32-63-48(36-17-7-2-8-18-36,37-19-9-3-10-20-37)38-21-11-4-12-22-38/h2-4,7-12,17-22,27-30,39-42H,5-6,13-16,23-26,31-34H2,1H3,(H,49,60)(H,50,56,58)(H,51,57,59) |
| InChIKey | FLARPLJOEIIDJC-UHFFFAOYSA-N |
| Molecular Weight | 924.989 g/mol |
| SMILES | N1C(C=CN(C(COP(OCC(N2C(NC(C=C2)=O)=O)COC(c2ccccc2)(c2ccccc2)c2ccccc2)(=O)N(C(NC2CCCCC2)=O)C2CCCCC2)COC(=O)C)C1=O)=O |