| SpectraBase Compound ID | 7hGfOqEHiVf |
|---|---|
| InChI | InChI=1S/C32H34N5O8P/c1-40-23-13-9-21(10-14-23)32(20-7-5-4-6-8-20,22-11-15-24(41-2)16-12-22)43-18-26-25(45-46(39)42-3)17-27(44-26)37-19-34-28-29(37)35-31(33)36-30(28)38/h4-16,19,25-27,46H,17-18H2,1-3H3,(H3,33,35,36,38)/t25-,26+,27+/m0/s1 |
| InChIKey | BIVZYHAXEPGNRC-OYUWMTPXSA-N |
| Mol Weight | 647.6 g/mol |
| Molecular Formula | C32H34N5O8P |
| Exact Mass | 647.2145 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | BqxNOvcCy3P |
|---|---|
| Name | 5'-o-(p,p'-Dimethoxytrityl)-2'-deoxyguanosine-3'-methyl-H-phosphonate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 647.214500065 u |
| Formula | C32H34N5O8P |
| InChI | InChI=1S/C32H34N5O8P/c1-40-23-13-9-21(10-14-23)32(20-7-5-4-6-8-20,22-11-15-24(41-2)16-12-22)43-18-26-25(45-46(39)42-3)17-27(44-26)37-19-34-28-29(37)35-31(33)36-30(28)38/h4-16,19,25-27,46H,17-18H2,1-3H3,(H3,33,35,36,38)/t25-,26+,27+/m0/s1 |
| InChIKey | BIVZYHAXEPGNRC-OYUWMTPXSA-N |
| Molecular Weight | 647.625 g/mol |
| SMILES | [C@@]1(O[C@@]([C@](C1)(OP(=O)OC)[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] |