| SpectraBase Compound ID | CHXka89IcC0 |
|---|---|
| InChI | InChI=1S/C13H10N2O2/c14-8-4-1-5-9-15-12(16)10-6-2-3-7-11(10)13(15)17/h1-4,6-7H,5,9H2/b4-1+ |
| InChIKey | VJNBTDSNKMKLQZ-DAFODLJHSA-N |
| Mol Weight | 226.23 g/mol |
| Molecular Formula | C13H10N2O2 |
| Exact Mass | 226.074228 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 1tujLK5BuNj |
|---|---|
| Name | (E)-5-(1,3-Dioxo-2-isoindolyl)-2-pentenenitrile |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 226.074227568 u |
| Formula | C13H10N2O2 |
| InChI | InChI=1S/C13H10N2O2/c14-8-4-1-5-9-15-12(16)10-6-2-3-7-11(10)13(15)17/h1-4,6-7H,5,9H2/b4-1+ |
| InChIKey | VJNBTDSNKMKLQZ-DAFODLJHSA-N |
| Molecular Weight | 226.235 g/mol |
| SMILES | C1(N(C(C=2C=CC=CC12)=O)CC\C=C\C#N)=O |