| SpectraBase Compound ID | EvXFYYXGgQU |
|---|---|
| InChI | InChI=1S/C9H14N2O4/c12-5-7(13)3-1-2-6-4-10-9(15)11-8(6)14/h4,7,12-13H,1-3,5H2,(H2,10,11,14,15) |
| InChIKey | AMIOJPURYLGJEG-UHFFFAOYSA-N |
| Mol Weight | 214.22 g/mol |
| Molecular Formula | C9H14N2O4 |
| Exact Mass | 214.095357 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | FTZ8scKl2ow |
|---|---|
| Name | 2,4(1H,3H)-Pyrimidinedione, 5-(4,5-dihydroxypentyl)- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 214.095356935 u |
| Formula | C9H14N2O4 |
| InChI | InChI=1S/C9H14N2O4/c12-5-7(13)3-1-2-6-4-10-9(15)11-8(6)14/h4,7,12-13H,1-3,5H2,(H2,10,11,14,15) |
| InChIKey | AMIOJPURYLGJEG-UHFFFAOYSA-N |
| Molecular Weight | 214.221 g/mol |
| SMILES | C1(NC(C(=CN1)CCCC(CO)O)=O)=O |