| SpectraBase Compound ID | HNvy0pR49lu |
|---|---|
| InChI | InChI=1S/C33H33F3N3O8P/c1-22-20-39(31(42)38-29(22)40)28-19-26(47-48(43)45-18-17-37-30(41)33(34,35)36)27(46-28)21-44-32(23-11-5-2-6-12-23,24-13-7-3-8-14-24)25-15-9-4-10-16-25/h2-16,20,26-28,48H,17-19,21H2,1H3,(H,37,41)(H,38,40,42)/t26-,27+,28+/m0/s1 |
| InChIKey | WCGCKBMTMXLKEQ-UPRLRBBYSA-N |
| Mol Weight | 687.6 g/mol |
| Molecular Formula | C33H33F3N3O8P |
| Exact Mass | 687.195737 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 1IVVwmYPsaY |
|---|---|
| Name | 5'-Tritylthymidine-3'-(2-trifluoroacetamidoethyl)phosphite(diastereomer mixture) |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 687.195736514 u |
| Formula | C33H33F3N3O8P |
| InChI | InChI=1S/C33H33F3N3O8P/c1-22-20-39(31(42)38-29(22)40)28-19-26(47-48(43)45-18-17-37-30(41)33(34,35)36)27(46-28)21-44-32(23-11-5-2-6-12-23,24-13-7-3-8-14-24)25-15-9-4-10-16-25/h2-16,20,26-28,48H,17-19,21H2,1H3,(H,37,41)(H,38,40,42)/t26-,27+,28+/m0/s1 |
| InChIKey | WCGCKBMTMXLKEQ-UPRLRBBYSA-N |
| Molecular Weight | 687.609 g/mol |
| SMILES | N1C(C(=CN([C@@]2(O[C@@]([C@@](OP(OCCNC(=O)C(F)(F)F)=O)(C2)[H])(COC(c2ccccc2)(c2ccccc2)c2ccccc2)[H])[H])C1=O)C)=O |