| SpectraBase Compound ID | 6s0QbEe1ATE |
|---|---|
| InChI | InChI=1S/C33H34N5O7P/c1-3-43-46(41,38-23-34-22-35-38)45-28-19-30(37-20-24(2)31(39)36-32(37)40)44-29(28)21-42-33(25-13-7-4-8-14-25,26-15-9-5-10-16-26)27-17-11-6-12-18-27/h4-18,20,22-23,28-30H,3,19,21H2,1-2H3,(H,36,39,40)/t28-,29+,30+,46?/m0/s1 |
| InChIKey | AYMIGWXGFCTPOD-WDLXVUDASA-N |
| Mol Weight | 643.6 g/mol |
| Molecular Formula | C33H34N5O7P |
| Exact Mass | 643.219585 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 2zY6cIw0jME |
|---|---|
| Name | 5'-o-Trityldeoxythymidine-3'-ethyl(1,2,4-triazolido)phosphate(diastereomer mixture) |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 643.219585446 u |
| Formula | C33H34N5O7P |
| InChI | InChI=1S/C33H34N5O7P/c1-3-43-46(41,38-23-34-22-35-38)45-28-19-30(37-20-24(2)31(39)36-32(37)40)44-29(28)21-42-33(25-13-7-4-8-14-25,26-15-9-5-10-16-26)27-17-11-6-12-18-27/h4-18,20,22-23,28-30H,3,19,21H2,1-2H3,(H,36,39,40)/t28-,29+,30+,46?/m0/s1 |
| InChIKey | AYMIGWXGFCTPOD-WDLXVUDASA-N |
| Molecular Weight | 643.637 g/mol |
| SMILES | N1C(C(=CN(C1=O)[C@]1(C[C@@]([C@](O1)(COC(c1ccccc1)(c1ccccc1)c1ccccc1)[H])(OP(OCC)(=O)N1C=NC=N1)[H])[H])C)=O |