| SpectraBase Compound ID | H8OTTJ5U460 |
|---|---|
| InChI | InChI=1S/C11H8N2O4/c14-7-3-1-2-6(4-7)5-8-9(15)12-11(17)13-10(8)16/h1-5,14H,(H2,12,13,15,16,17) |
| InChIKey | UPFASLMHCOQDJG-UHFFFAOYSA-N |
| Mol Weight | 232.19 g/mol |
| Molecular Formula | C11H8N2O4 |
| Exact Mass | 232.048407 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | GjeP3n5ULxs |
|---|---|
| Name | 5-(m-Hydroxybenzylidene)barbituric acid |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 232.048406742 u |
| Formula | C11H8N2O4 |
| InChI | InChI=1S/C11H8N2O4/c14-7-3-1-2-6(4-7)5-8-9(15)12-11(17)13-10(8)16/h1-5,14H,(H2,12,13,15,16,17) |
| InChIKey | UPFASLMHCOQDJG-UHFFFAOYSA-N |
| SMILES | OC=1C=C(C=C2C(=O)NC(NC2=O)=O)C=CC1 |