| SpectraBase Compound ID | 6SFnBYc5vnA |
|---|---|
| InChI | InChI=1S/C33H35N4O8P/c1-40-26-13-9-24(10-14-26)33(23-7-4-3-5-8-23,25-11-15-27(41-2)16-12-25)42-22-29-28(45-46(39)43-20-6-18-34)21-31(44-29)37-19-17-30(35)36-32(37)38/h3-5,7-17,19,28-29,31,46H,6,20-22H2,1-2H3,(H2,35,36,38)/t28-,29+,31+/m1/s1 |
| InChIKey | WNUVIFDZOHWZNT-HZFRXHCASA-N |
| Mol Weight | 646.6 g/mol |
| Molecular Formula | C33H35N4O8P |
| Exact Mass | 646.219251 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | EJIZzbU2lML |
|---|---|
| Name | 5'-o-(p,p'-Dimethoxytrityl)-2'-deoxycytidine-3'-(2-cyanoethyl)-H-phosphonate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 646.219251093 u |
| Formula | C33H35N4O8P |
| InChI | InChI=1S/C33H35N4O8P/c1-40-26-13-9-24(10-14-26)33(23-7-4-3-5-8-23,25-11-15-27(41-2)16-12-25)42-22-29-28(45-46(39)43-20-6-18-34)21-31(44-29)37-19-17-30(35)36-32(37)38/h3-5,7-17,19,28-29,31,46H,6,20-22H2,1-2H3,(H2,35,36,38)/t28-,29+,31+/m1/s1 |
| InChIKey | WNUVIFDZOHWZNT-HZFRXHCASA-N |
| Molecular Weight | 646.637 g/mol |
| SMILES | [C@]1(O[C@]([C@@](C1)(OP(=O)OCCC#N)[H])(COC(C1=CC=C(C=C1)OC)(C1=CC=C(C=C1)OC)C1=CC=CC=C1)[H])(N1C(=O)N=C(N)C=C1)[H] |