| SpectraBase Spectrum ID |
7PyO6yXPaeA |
| Name |
Imidazole-2,4-dione, 3-carbamoylmethyl-5-benzyl- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| 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 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.965921 |
