| SpectraBase Compound ID | D0GLnCzyYgi |
|---|---|
| InChI | InChI=1S/C18H28N3O8P/c1-11-9-21(18(24)19-17(11)23)16-8-14(28-12(2)22)15(29-16)10-27-30(25,26)20-13-6-4-3-5-7-13/h9,13-16H,3-8,10H2,1-2H3,(H,19,23,24)(H2,20,25,26)/t14-,15+,16+/m0/s1 |
| InChIKey | OEXPSLXJURQCEU-ARFHVFGLSA-N |
| Mol Weight | 445.41 g/mol |
| Molecular Formula | C18H28N3O8P |
| Exact Mass | 445.161402 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | Evvj0p03Q1r |
|---|---|
| Name | 3'-o-Acetyldeoxythymidine-5'-cyclohexylamidophosphate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 445.161401864 u |
| Formula | C18H28N3O8P |
| InChI | InChI=1S/C18H28N3O8P/c1-11-9-21(18(24)19-17(11)23)16-8-14(28-12(2)22)15(29-16)10-27-30(25,26)20-13-6-4-3-5-7-13/h9,13-16H,3-8,10H2,1-2H3,(H,19,23,24)(H2,20,25,26)/t14-,15+,16+/m0/s1 |
| InChIKey | OEXPSLXJURQCEU-ARFHVFGLSA-N |
| Molecular Weight | 445.409 g/mol |
| SMILES | OP(OC[C@@]1([C@](C[C@@](O1)(N1C=C(C)C(NC1=O)=O)[H])(OC(C)=O)[H])[H])(=O)NC1CCCCC1 |