| SpectraBase Compound ID | 4UDLxe1FTgP |
|---|---|
| InChI | InChI=1S/C13H16N7O6P/c14-11-8-12(17-4-16-11)20(6-18-8)13-10(22)9(21)7(26-13)3-25-27(23,24)19-2-1-15-5-19/h1-2,4-7,9-10,13,21-22H,3H2,(H,23,24)(H2,14,16,17)/t7-,9-,10-,13-/m0/s1 |
| InChIKey | ZZVDSVGETAFWNA-PYSAPBNWSA-N |
| Mol Weight | 397.29 g/mol |
| Molecular Formula | C13H16N7O6P |
| Exact Mass | 397.089968 g/mol |
31P Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | C5AU6NNWmlm |
|---|---|
| Name | ADENOSINE-5'-PHOSPHOIMIDAZOLIDE |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C13H15N7O6P |
| InChI | InChI=1S/C13H16N7O6P/c14-11-8-12(17-4-16-11)20(6-18-8)13-10(22)9(21)7(26-13)3-25-27(23,24)19-2-1-15-5-19/h1-2,4-7,9-10,13,21-22H,3H2,(H,23,24)(H2,14,16,17)/t7-,9-,10-,13-/m0/s1 |
| InChIKey | ZZVDSVGETAFWNA-PYSAPBNWSA-N |
| Literature Reference Author | K.HUANG,P.A.FREY |
| Literature Reference Citation | J.AM.CHEM.SOC.,126,9548(2004) |
| Literature Reference DOI | 10.1021/ja0400640 |
| Solvent | D2O |
| Source File Reference | UWLU35000 |