| SpectraBase Compound ID | Cyv4vVCg04P |
|---|---|
| InChI | InChI=1S/C15H7FN2O2/c16-10-5-6-11-12(7-10)15(20)18(14(11)19)13-4-2-1-3-9(13)8-17/h1-7H |
| InChIKey | PNFBJEQHPCWABT-UHFFFAOYSA-N |
| Mol Weight | 266.23 g/mol |
| Molecular Formula | C15H7FN2O2 |
| Exact Mass | 266.049156 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | AdAK80FXHAV |
|---|---|
| Name | 2-(5-Fluoro-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)benzonitrile |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 266.049155634 u |
| Formula | C15H7FN2O2 |
| InChI | InChI=1S/C15H7FN2O2/c16-10-5-6-11-12(7-10)15(20)18(14(11)19)13-4-2-1-3-9(13)8-17/h1-7H |
| InChIKey | PNFBJEQHPCWABT-UHFFFAOYSA-N |
| Molecular Weight | 266.231 g/mol |
| SMILES | C=1C=C(C(N2C(C=3C=C(F)C=CC3C2=O)=O)=CC1)C#N |