| SpectraBase Compound ID | B3CcBGFOrld |
|---|---|
| InChI | InChI=1S/C9H13N3O4/c10-7-1-2-12(9(15)11-7)8-6(14)3-5(13)4-16-8/h1-2,5-6,8,13-14H,3-4H2,(H2,10,11,15)/t5-,6-,8-/m0/s1 |
| InChIKey | XFQSGQXEWAKVAH-HAFWLYHUSA-N |
| Mol Weight | 227.22 g/mol |
| Molecular Formula | C9H13N3O4 |
| Exact Mass | 227.090606 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 85Y6y8Bc0F9 |
|---|---|
| Name | PPNC |
| Compound Number | 12 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C9H13N3O4 |
| InChI | InChI=1S/C9H13N3O4/c10-7-1-2-12(9(15)11-7)8-6(14)3-5(13)4-16-8/h1-2,5-6,8,13-14H,3-4H2,(H2,10,11,15)/t5-,6-,8-/m0/s1 |
| InChIKey | XFQSGQXEWAKVAH-HAFWLYHUSA-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 | 227.220 g/mol |
| Solvent | D2O |
| Source File Reference | UWMS4592 |