| SpectraBase Compound ID | 1AYK2OuUvNi |
|---|---|
| InChI | InChI=1S/C12H13N3O4/c1-12(2)10(16)14(11(17)13-12)7-8-3-5-9(6-4-8)15(18)19/h3-6H,7H2,1-2H3,(H,13,17) |
| InChIKey | IGLOIBUWPRCLQJ-UHFFFAOYSA-N |
| Mol Weight | 263.25 g/mol |
| Molecular Formula | C12H13N3O4 |
| Exact Mass | 263.090606 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
View the Full Spectrum for FREE!
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | E0UgSr6hwPL |
|---|---|
| Name | 5,5-Dimethyl-3-(4-nitrobenzyl)-2,4-imidazolidinedione |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 263.090605907 u |
| Formula | C12H13N3O4 |
| InChI | InChI=1S/C12H13N3O4/c1-12(2)10(16)14(11(17)13-12)7-8-3-5-9(6-4-8)15(18)19/h3-6H,7H2,1-2H3,(H,13,17) |
| InChIKey | IGLOIBUWPRCLQJ-UHFFFAOYSA-N |
| SMILES | C1(N(=O)=O)=CC=C(C=C1)CN1C(=O)NC(C1=O)(C)C |