| SpectraBase Compound ID | 3s2PTXahnOl |
|---|---|
| InChI | InChI=1S/C12H10N2O3/c1-7-2-4-8(5-3-7)6-9-10(15)13-12(17)14-11(9)16/h2-6H,1H3,(H2,13,14,15,16,17) |
| InChIKey | NEWBESJIUIWGMS-UHFFFAOYSA-N |
| Mol Weight | 230.22 g/mol |
| Molecular Formula | C12H10N2O3 |
| Exact Mass | 230.069142 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | NKFlBDQRFA |
|---|---|
| Name | 5-(4-Methylbenzylidene)barbituric acid |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 230.069142187 u |
| Formula | C12H10N2O3 |
| InChI | InChI=1S/C12H10N2O3/c1-7-2-4-8(5-3-7)6-9-10(15)13-12(17)14-11(9)16/h2-6H,1H3,(H2,13,14,15,16,17) |
| InChIKey | NEWBESJIUIWGMS-UHFFFAOYSA-N |
| Molecular Weight | 230.223 g/mol |
| SMILES | C1(C(NC(NC1=O)=O)=O)=CC=1C=CC(=CC1)C |