| SpectraBase Compound ID | 6qtVLIZv0O |
|---|---|
| InChI | InChI=1S/C10H14N5O5PS.C6H15N/c11-10-13-8-7(9(17)14-10)12-3-15(8)6-1-4(16)5(20-6)2-19-21(18)22;1-4-7(5-2)6-3/h3-6,16,21H,1-2H2,(H,18,22)(H3,11,13,14,17);4-6H2,1-3H3/t4-,5+,6+;/m0./s1 |
| InChIKey | RAVFHBZCCMFDRU-FPKZOZHISA-N |
| Mol Weight | 448.48 g/mol |
| Molecular Formula | C16H29N6O5PS |
| Exact Mass | 448.165776 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | C4G8LIhUSHj |
|---|---|
| Name | 2'-Deoxyguanosin-5'-yl_h-phosphonothioate_triethylammonium_salt;DIASTEREOMER_1 |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 448.165776225 u |
| Formula | C16H29N6O5PS |
| InChI | InChI=1S/C10H14N5O5PS.C6H15N/c11-10-13-8-7(9(17)14-10)12-3-15(8)6-1-4(16)5(20-6)2-19-21(18)22;1-4-7(5-2)6-3/h3-6,16,21H,1-2H2,(H,18,22)(H3,11,13,14,17);4-6H2,1-3H3/t4-,5+,6+;/m0./s1 |
| InChIKey | RAVFHBZCCMFDRU-FPKZOZHISA-N |
| Molecular Weight | 448.479 g/mol |
| SMILES | C([NH+](CC)CC)C.C1=2N=C(NC(C2N=CN1[C@]1(C[C@@]([C@](O1)(COP(=S)[O-])[H])(O)[H])[H])=O)N |