![5-[(4-Pyridyl)methylene]hydantoin](/api/spectrum/C2gTwOU6X9h/structure.png?h=300&w=458 "5-[(4-Pyridyl)methylene]hydantoin")
| SpectraBase Compound ID | 290S21gCQQo |
|---|---|
| InChI | InChI=1S/C9H7N3O2/c13-8-7(11-9(14)12-8)5-6-1-3-10-4-2-6/h1-5H,(H2,11,12,13,14) |
| InChIKey | JFEGQPTZCCZRSJ-UHFFFAOYSA-N |
| Mol Weight | 189.17 g/mol |
| Molecular Formula | C9H7N3O2 |
| Exact Mass | 189.053826 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | C2gTwOU6X9h |
|---|---|
| Name | 5-[(4-Pyridyl)methylene]hydantoin |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 189.053826475 u |
| Formula | C9H7N3O2 |
| InChI | InChI=1S/C9H7N3O2/c13-8-7(11-9(14)12-8)5-6-1-3-10-4-2-6/h1-5H,(H2,11,12,13,14) |
| InChIKey | JFEGQPTZCCZRSJ-UHFFFAOYSA-N |
| Molecular Weight | 189.174 g/mol |
| SMILES | N1C(NC(C1=O)=CC=1C=CN=CC1)=O |