| SpectraBase Compound ID | BAoQAjcjA1Z |
|---|---|
| InChI | InChI=1S/C34H35N6O8P/c1-43-25-13-9-23(10-14-25)34(22-7-4-3-5-8-22,24-11-15-26(44-2)16-12-24)45-20-28-27(48-49(42)46-18-6-17-35)19-29(47-28)40-21-37-30-31(40)38-33(36)39-32(30)41/h3-5,7-16,21,27-29,49H,6,18-20H2,1-2H3,(H3,36,38,39,41)/t27-,28+,29+/m0/s1 |
| InChIKey | BFEMDZDOJOTWOV-ZGIBFIJWSA-N |
| Mol Weight | 686.7 g/mol |
| Molecular Formula | C34H35N6O8P |
| Exact Mass | 686.225399 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 4OIo5RuJ75r |
|---|---|
| Name | 5'-o-(p,p'-Dimethoxytrityl)-2'-deoxyguanosine-3'-(2-cyanoethyl)-H-phosphonate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 686.225399101 u |
| Formula | C34H35N6O8P |
| InChI | InChI=1S/C34H35N6O8P/c1-43-25-13-9-23(10-14-25)34(22-7-4-3-5-8-22,24-11-15-26(44-2)16-12-24)45-20-28-27(48-49(42)46-18-6-17-35)19-29(47-28)40-21-37-30-31(40)38-33(36)39-32(30)41/h3-5,7-16,21,27-29,49H,6,18-20H2,1-2H3,(H3,36,38,39,41)/t27-,28+,29+/m0/s1 |
| InChIKey | BFEMDZDOJOTWOV-ZGIBFIJWSA-N |
| Molecular Weight | 686.662 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=NC=2C(=O)NC(N)=NC12)[H] |