| SpectraBase Compound ID | DDFHie9rtFT |
|---|---|
| InChI | InChI=1S/C13H18N2O3/c1-5-7-13(8-6-2)10(16)14-12(18)15(9(3)4)11(13)17/h5-6,9H,1-2,7-8H2,3-4H3,(H,14,16,18) |
| InChIKey | WXBNKPMEGXULMS-UHFFFAOYSA-N |
| Mol Weight | 250.3 g/mol |
| Molecular Formula | C13H18N2O3 |
| Exact Mass | 250.131742 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | DbXjZzFmOPS |
|---|---|
| Name | 5,5-Diallyl-1-isopropylbarbituric acid |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 250.131742445 u |
| Formula | C13H18N2O3 |
| InChI | InChI=1S/C13H18N2O3/c1-5-7-13(8-6-2)10(16)14-12(18)15(9(3)4)11(13)17/h5-6,9H,1-2,7-8H2,3-4H3,(H,14,16,18) |
| InChIKey | WXBNKPMEGXULMS-UHFFFAOYSA-N |
| Molecular Weight | 250.298 g/mol |
| SMILES | N1C(N(C(C(C1=O)(CC=C)CC=C)=O)C(C)C)=O |