| SpectraBase Compound ID | 1HumR9l3M1i |
|---|---|
| InChI | InChI=1S/C9H14N2O2/c1-6(2)4-11-5-7(3)8(12)10-9(11)13/h5-6H,4H2,1-3H3,(H,10,12,13) |
| InChIKey | MCUUAPWMJRNOJB-UHFFFAOYSA-N |
| Mol Weight | 182.22 g/mol |
| Molecular Formula | C9H14N2O2 |
| Exact Mass | 182.105528 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | Jdmd3lzTLr9 |
|---|---|
| Name | 1-Isobutyl-5-methyl-2,4(1H,3H)-pyrimidinedione |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 182.105527697 u |
| Formula | C9H14N2O2 |
| InChI | InChI=1S/C9H14N2O2/c1-6(2)4-11-5-7(3)8(12)10-9(11)13/h5-6H,4H2,1-3H3,(H,10,12,13) |
| InChIKey | MCUUAPWMJRNOJB-UHFFFAOYSA-N |
| Molecular Weight | 182.223 g/mol |
| SMILES | N1C(C(=CN(C1=O)CC(C)C)C)=O |