| SpectraBase Compound ID | HYIGHkCTkQB |
|---|---|
| InChI | InChI=1S/C12H13N3O3/c13-10(16)7-15-11(17)9(14-12(15)18)6-8-4-2-1-3-5-8/h1-5,9H,6-7H2,(H2,13,16)(H,14,18) |
| InChIKey | XKHYUGQTIDPCKD-UHFFFAOYSA-N |
| Mol Weight | 247.25 g/mol |
| Molecular Formula | C12H13N3O3 |
| Exact Mass | 247.095691 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | BPgpAvVvgov |
|---|---|
| Name | Imidazole-2,4-dione, 3-carbamoylmethyl-5-benzyl- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 247.095691288 u |
| Formula | C12H13N3O3 |
| InChI | InChI=1S/C12H13N3O3/c13-10(16)7-15-11(17)9(14-12(15)18)6-8-4-2-1-3-5-8/h1-5,9H,6-7H2,(H2,13,16)(H,14,18) |
| InChIKey | XKHYUGQTIDPCKD-UHFFFAOYSA-N |
| Molecular Weight | 247.254 g/mol |
| SMILES | C1=C(C=CC=C1)CC1NC(=O)N(C1=O)CC(N)=O |