| SpectraBase Compound ID | J9GPe0416aQ |
|---|---|
| InChI | InChI=1S/C12H8N2O2/c13-7-3-4-8-14-11(15)9-5-1-2-6-10(9)12(14)16/h1-6H,8H2/b4-3+ |
| InChIKey | FGDHHSNLPFIAKD-ONEGZZNKSA-N |
| Mol Weight | 212.21 g/mol |
| Molecular Formula | C12H8N2O2 |
| Exact Mass | 212.058578 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | GN81UinIeXS |
|---|---|
| Name | (E)-4-(1,3-Dioxo-2-isoindolyl)-2-butenenitrile |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 212.058577504 u |
| Formula | C12H8N2O2 |
| InChI | InChI=1S/C12H8N2O2/c13-7-3-4-8-14-11(15)9-5-1-2-6-10(9)12(14)16/h1-6H,8H2/b4-3+ |
| InChIKey | FGDHHSNLPFIAKD-ONEGZZNKSA-N |
| Molecular Weight | 212.208 g/mol |
| SMILES | C1(N(C(C=2C=CC=CC12)=O)C\C=C\C#N)=O |