| SpectraBase Compound ID | 1ODoln5rLJ6 |
|---|---|
| InChI | InChI=1S/C9H16N2O3/c1-10-5-4-7(6-8(12)14-3)11(2)9(10)13/h7H,4-6H2,1-3H3 |
| InChIKey | DWTYQRBAZLCLFD-UHFFFAOYSA-N |
| Mol Weight | 200.24 g/mol |
| Molecular Formula | C9H16N2O3 |
| Exact Mass | 200.116092 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 63anm1mX6kT |
|---|---|
| Name | 4-Pyrimidineacetic acid, hexahydro-1,3-dimethyl-2-oxo-, methyl ester, (.+-.)- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 200.116092380 u |
| Formula | C9H16N2O3 |
| InChI | InChI=1S/C9H16N2O3/c1-10-5-4-7(6-8(12)14-3)11(2)9(10)13/h7H,4-6H2,1-3H3 |
| InChIKey | DWTYQRBAZLCLFD-UHFFFAOYSA-N |
| Molecular Weight | 200.238 g/mol |
| SMILES | C1(N(C(CC(=O)OC)CCN1C)C)=O |