![4-[(E)-(1,3-dioxo-2-isoindolyl)iminomethyl]benzonitrile](/api/spectrum/GVT7bXYuU5V/structure.png?h=300&w=458 "4-[(E)-(1,3-dioxo-2-isoindolyl)iminomethyl]benzonitrile")
| SpectraBase Compound ID | 7h0eKFjdbd2 |
|---|---|
| InChI | InChI=1S/C16H9N3O2/c17-9-11-5-7-12(8-6-11)10-18-19-15(20)13-3-1-2-4-14(13)16(19)21/h1-8,10H/b18-10+ |
| InChIKey | REDPFJVLTSDICA-VCHYOVAHSA-N |
| Mol Weight | 275.27 g/mol |
| Molecular Formula | C16H9N3O2 |
| Exact Mass | 275.069477 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | GVT7bXYuU5V |
|---|---|
| Name | 4-[(E)-(1,3-Dioxo-2-isoindolyl)iminomethyl]benzonitrile |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 275.069476540 u |
| Formula | C16H9N3O2 |
| InChI | InChI=1S/C16H9N3O2/c17-9-11-5-7-12(8-6-11)10-18-19-15(20)13-3-1-2-4-14(13)16(19)21/h1-8,10H/b18-10+ |
| InChIKey | REDPFJVLTSDICA-VCHYOVAHSA-N |
| SMILES | C1(N(C(C2=CC=CC=C12)=O)\N=C\C=1C=CC(C#N)=CC1)=O |