| SpectraBase Compound ID | 9dJzloW8RW2 |
|---|---|
| InChI | InChI=1S/C16H17ClN5O7P/c17-8-3-1-2-4-9(8)28-30(25,26)29-10-5-12(27-11(10)6-23)22-7-19-13-14(22)20-16(18)21-15(13)24/h1-4,7,10-12,23H,5-6H2,(H,25,26)(H3,18,20,21,24)/t10-,11+,12+/m0/s1 |
| InChIKey | LXQYFUZNSWYJHA-QJPTWQEYSA-N |
| Mol Weight | 457.77 g/mol |
| Molecular Formula | C16H17ClN5O7P |
| Exact Mass | 457.055413 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 54t8YkqDLkn |
|---|---|
| Name | 2'-Deoxyguanosine-3'-(2-chlorophenyl)-phosphate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 457.055412598 u |
| Formula | C16H17ClN5O7P |
| InChI | InChI=1S/C16H17ClN5O7P/c17-8-3-1-2-4-9(8)28-30(25,26)29-10-5-12(27-11(10)6-23)22-7-19-13-14(22)20-16(18)21-15(13)24/h1-4,7,10-12,23H,5-6H2,(H,25,26)(H3,18,20,21,24)/t10-,11+,12+/m0/s1 |
| InChIKey | LXQYFUZNSWYJHA-QJPTWQEYSA-N |
| Molecular Weight | 457.767 g/mol |
| SMILES | N1C(=NC2=C(N=CN2[C@]2(C[C@](OP(O)(=O)Oc3c(cccc3)Cl)([C@](O2)(CO)[H])[H])[H])C1=O)N |