| SpectraBase Compound ID | 6K36mbO81R5 |
|---|---|
| InChI | InChI=1S/C11H18N2O3/c1-3-5-6-7-11(4-2)8(14)12-10(16)13-9(11)15/h3-7H2,1-2H3,(H2,12,13,14,15,16) |
| InChIKey | XYGXSCVUMIDZRR-UHFFFAOYSA-N |
| Mol Weight | 226.28 g/mol |
| Molecular Formula | C11H18N2O3 |
| Exact Mass | 226.131742 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
View the Full Spectrum for FREE!
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | 63SeA9gBjrN |
|---|---|
| Name | Barbituric acid, 5-ethyl-5-pentyl- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 226.131742445 u |
| Formula | C11H18N2O3 |
| InChI | InChI=1S/C11H18N2O3/c1-3-5-6-7-11(4-2)8(14)12-10(16)13-9(11)15/h3-7H2,1-2H3,(H2,12,13,14,15,16) |
| InChIKey | XYGXSCVUMIDZRR-UHFFFAOYSA-N |
| Molecular Weight | 226.276 g/mol |
| SMILES | C1(C(NC(NC1=O)=O)=O)(CCCCC)CC |