| SpectraBase Compound ID | G1Q1q2qWDx |
|---|---|
| InChI | InChI=1S/C12H17N6O8P/c13-1-6(19)26-27(22,23)24-2-5-8(20)9(21)12(25-5)18-4-17-7-10(14)15-3-16-11(7)18/h3-5,8-9,12,20-21H,1-2,13H2,(H,22,23)(H2,14,15,16)/p-1/t5-,8-,9-,12-/m0/s1 |
| InChIKey | HROXHMRQKGGIFT-ROXUDPPMSA-M |
| Mol Weight | 403.27 g/mol |
| Molecular Formula | C12H16N6O8P |
| Exact Mass | 403.076723 g/mol |
31P Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | BoHna3VKw3P |
|---|---|
| Name | HROXHMRQKGGIFT-ROXUDPPMSA-M |
| Compound Number | 4G |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C12H16N6O8P |
| InChI | InChI=1S/C12H17N6O8P/c13-1-6(19)26-27(22,23)24-2-5-8(20)9(21)12(25-5)18-4-17-7-10(14)15-3-16-11(7)18/h3-5,8-9,12,20-21H,1-2,13H2,(H,22,23)(H2,14,15,16)/p-1/t5-,8-,9-,12-/m0/s1 |
| InChIKey | HROXHMRQKGGIFT-ROXUDPPMSA-M |
| Literature Reference Author | T.MORIGUCHI,T.YANAGI,T.WADA,M.SEKINE |
| Literature Reference Citation | J.CHEM.SOC.PERKIN-1,1859(1999) |
| Literature Reference DOI | 10.1039/a900985j |
| Solvent | C5H5N:HCl:C5D5N=3:1:1 |
| Source File Reference | UWSI8023 |