![5-[(Pyrrol-2-yl)methylene]barbituric acid](/api/spectrum/HCG77ksoJAv/structure.png?h=300&w=458 "5-[(Pyrrol-2-yl)methylene]barbituric acid")
| SpectraBase Compound ID | HK2Kuro3B1t |
|---|---|
| InChI | InChI=1S/C9H7N3O3/c13-7-6(4-5-2-1-3-10-5)8(14)12-9(15)11-7/h1-4,10H,(H2,11,12,13,14,15) |
| InChIKey | PIQVFMMKNFBHKA-UHFFFAOYSA-N |
| Mol Weight | 205.17 g/mol |
| Molecular Formula | C9H7N3O3 |
| Exact Mass | 205.048741 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | HCG77ksoJAv |
|---|---|
| Name | 5-[(Pyrrol-2-yl)methylene]barbituric acid |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 205.048741094 u |
| Formula | C9H7N3O3 |
| InChI | InChI=1S/C9H7N3O3/c13-7-6(4-5-2-1-3-10-5)8(14)12-9(15)11-7/h1-4,10H,(H2,11,12,13,14,15) |
| InChIKey | PIQVFMMKNFBHKA-UHFFFAOYSA-N |
| SMILES | N1C(C=C2C(NC(NC2=O)=O)=O)=CC=C1 |