| SpectraBase Compound ID | Bky2rudoMCn |
|---|---|
| InChI | InChI=1S/C11H16N3O12P3/c15-11-8-3-4-14(10(8)12-6-13-11)9-2-1-7(24-9)5-23-28(19,20)26-29(21,22)25-27(16,17)18/h3-4,6-7,9H,1-2,5H2,(H,19,20)(H,21,22)(H,12,13,15)(H2,16,17,18)/p-4/t7-,9+/m1/s1 |
| InChIKey | HQAQPYCUAPKCSC-APPZFPTMSA-J |
| Mol Weight | 471.15 g/mol |
| Molecular Formula | C11H12N3O12P3 |
| Exact Mass | 470.963384 g/mol |
31P Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | IeOi6iOH2p |
|---|---|
| Name | HQAQPYCUAPKCSC-APPZFPTMSA-J |
| Compound Number | 16A |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C11H12N3O12P3 |
| InChI | InChI=1S/C11H16N3O12P3/c15-11-8-3-4-14(10(8)12-6-13-11)9-2-1-7(24-9)5-23-28(19,20)26-29(21,22)25-27(16,17)18/h3-4,6-7,9H,1-2,5H2,(H,19,20)(H,21,22)(H,12,13,15)(H2,16,17,18)/p-4/t7-,9+/m1/s1 |
| InChIKey | HQAQPYCUAPKCSC-APPZFPTMSA-J |
| Literature Reference Author | F.SEELA,H.P.MUTH,A.ROELING |
| Literature Reference Citation | HELV.CHIM.ACTA,74,554(1991) |
| Solvent | D2O/TRIS-HClBUFFERPH81:1,0.1MNA4 |
| Source File Reference | UWSF1176 |