![3-Benzyl-1-(4H-[1,2,4]triazol-3-yl)pyrrolidine-2,5-dione](/api/spectrum/AoNQWQPnBiG/structure.png?h=300&w=458 "3-Benzyl-1-(4H-[1,2,4]triazol-3-yl)pyrrolidine-2,5-dione")
| SpectraBase Compound ID | GdkjpshB8Up |
|---|---|
| InChI | InChI=1S/C13H12N4O2/c18-11-7-10(6-9-4-2-1-3-5-9)12(19)17(11)13-14-8-15-16-13/h1-5,8,10H,6-7H2,(H,14,15,16) |
| InChIKey | JEPSPJDRKUCGMY-UHFFFAOYSA-N |
| Mol Weight | 256.26 g/mol |
| Molecular Formula | C13H12N4O2 |
| Exact Mass | 256.096026 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | AoNQWQPnBiG |
|---|---|
| Name | 3-Benzyl-1-(4H-[1,2,4]triazol-3-yl)pyrrolidine-2,5-dione |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 256.096025640 u |
| Formula | C13H12N4O2 |
| InChI | InChI=1S/C13H12N4O2/c18-11-7-10(6-9-4-2-1-3-5-9)12(19)17(11)13-14-8-15-16-13/h1-5,8,10H,6-7H2,(H,14,15,16) |
| InChIKey | JEPSPJDRKUCGMY-UHFFFAOYSA-N |
| Molecular Weight | 256.265 g/mol |
| SMILES | C1=CC=CC(=C1)CC1CC(=O)N(C1=O)C1=NN=CN1 |