| SpectraBase Compound ID | 1izdSZdfvil |
|---|---|
| InChI | InChI=1S/C10H14N2O4/c13-5-6-3-7(4-8(6)14)12-2-1-9(15)11-10(12)16/h1-2,6-8,13-14H,3-5H2,(H,11,15,16) |
| InChIKey | JIFXFEDXEKJYAE-UHFFFAOYSA-N |
| Mol Weight | 226.23 g/mol |
| Molecular Formula | C10H14N2O4 |
| Exact Mass | 226.095357 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | CXdFwLJ4hw7 |
|---|---|
| Name | 1-(3-Hydroxy-4-methylol-cyclopentyl)pyrimidine-2,4-quinone |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 226.095356935 u |
| Formula | C10H14N2O4 |
| InChI | InChI=1S/C10H14N2O4/c13-5-6-3-7(4-8(6)14)12-2-1-9(15)11-10(12)16/h1-2,6-8,13-14H,3-5H2,(H,11,15,16) |
| InChIKey | JIFXFEDXEKJYAE-UHFFFAOYSA-N |
| Molecular Weight | 226.232 g/mol |
| SMILES | C1(N2C(=O)NC(C=C2)=O)CC(CO)C(C1)O |