| SpectraBase Compound ID | 1FaJnZMiaGH |
|---|---|
| InChI | InChI=1S/C9H12N4O4/c10-7-1-2-13(9(15)11-7)8-6(14)3-5(12-16)4-17-8/h1-2,6,8,14,16H,3-4H2,(H2,10,11,15)/b12-5-/t6-,8-/m0/s1 |
| InChIKey | QPALUKSOKICOMY-CHKDDAKTSA-N |
| Mol Weight | 240.22 g/mol |
| Molecular Formula | C9H12N4O4 |
| Exact Mass | 240.085855 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | ENOjWPaV0sO |
|---|---|
| Name | QPALUKSOKICOMY-CHKDDAKTSA-N |
| Compound Number | 17 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C9H11N4O4 |
| InChI | InChI=1S/C9H12N4O4/c10-7-1-2-13(9(15)11-7)8-6(14)3-5(12-16)4-17-8/h1-2,6,8,14,16H,3-4H2,(H2,10,11,15)/b12-5-/t6-,8-/m0/s1 |
| InChIKey | QPALUKSOKICOMY-CHKDDAKTSA-N |
| Literature Reference Author | J.GUO,S.J.GOULD |
| Literature Reference Citation | PHYTOCHEM.,32,535(1993) |
| Literature Reference DOI | 10.1016/S0031-9422(00)95133-1 |
| Molecular Weight | 239.211 g/mol |
| Solvent | D2O |
| Source File Reference | UWMS4594 |