| SpectraBase Compound ID | 4OyuEBt09oj |
|---|---|
| InChI | InChI=1S/C9H20NO9P/c10-2-1-3-18-20(16,17)19-9-7(14)5(12)4(11)6(13)8(9)15/h4-9,11-15H,1-3,10H2,(H,16,17)/t4-,5-,6+,7-,8-,9-/m1/s1 |
| InChIKey | FHXLXTIULHLISQ-FJYMVOSHSA-N |
| Mol Weight | 317.23 g/mol |
| Molecular Formula | C9H20NO9P |
| Exact Mass | 317.087568 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | FfhPkpHdG7D |
|---|---|
| Name | o-1-(3-Aminopropyl)-1-myo-inositol-phosphate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 317.087568217 u |
| Formula | C9H20NO9P |
| InChI | InChI=1S/C9H20NO9P/c10-2-1-3-18-20(16,17)19-9-7(14)5(12)4(11)6(13)8(9)15/h4-9,11-15H,1-3,10H2,(H,16,17)/t4-,5-,6+,7-,8-,9-/m1/s1 |
| InChIKey | FHXLXTIULHLISQ-FJYMVOSHSA-N |
| Molecular Weight | 317.231 g/mol |
| Nominal Mass | 317 u |
| SMILES | [C@@]1(O)([C@@](O)([C@]([C@](O)([C@@](O)([C@@]1(O)[H])[H])[H])(OP(=O)(O)OCCCN)[H])[H])[H] |