| SpectraBase Compound ID | KcCuczQ8KZX |
|---|---|
| InChI | InChI=1S/C31H32ClN2O6P/c1-3-38-41(32)40-26-19-28(34-20-22(2)29(35)33-30(34)36)39-27(26)21-37-31(23-13-7-4-8-14-23,24-15-9-5-10-16-24)25-17-11-6-12-18-25/h4-18,20,26-28H,3,19,21H2,1-2H3,(H,33,35,36)/t26-,27+,28+,41?/m0/s1 |
| InChIKey | QVPPVXZNALNYNR-WQNBCVSBSA-N |
| Mol Weight | 595.0 g/mol |
| Molecular Formula | C31H32ClN2O6P |
| Exact Mass | 594.168651 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 3hAlo3G96pP |
|---|---|
| Name | 5'-o-Tritylthymidine-3'-ethylchlorophosphite |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 594.168651450 u |
| Formula | C31H32ClN2O6P |
| InChI | InChI=1S/C31H32ClN2O6P/c1-3-38-41(32)40-26-19-28(34-20-22(2)29(35)33-30(34)36)39-27(26)21-37-31(23-13-7-4-8-14-23,24-15-9-5-10-16-24)25-17-11-6-12-18-25/h4-18,20,26-28H,3,19,21H2,1-2H3,(H,33,35,36)/t26-,27+,28+,41?/m0/s1 |
| InChIKey | QVPPVXZNALNYNR-WQNBCVSBSA-N |
| Molecular Weight | 595.032 g/mol |
| SMILES | N1C(C(=CN(C1=O)[C@@]1(O[C@@]([C@](C1)(OP(Cl)OCC)[H])(COC(c1ccccc1)(c1ccccc1)c1ccccc1)[H])[H])C)=O |