| SpectraBase Compound ID | 9JX5FJtKFp |
|---|---|
| InChI | InChI=1S/C9H7FN2O/c10-7-2-1-3-8(6-7)12-9(13)4-5-11/h1-3,6H,4H2,(H,12,13) |
| InChIKey | RUDCQQISSGIFRX-UHFFFAOYSA-N |
| Mol Weight | 178.17 g/mol |
| Molecular Formula | C9H7FN2O |
| Exact Mass | 178.054241 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | L3cIDrbxyXS |
|---|---|
| Name | 2-Cyano-N-(3-fluorophenyl)acetamide |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 178.054241015 u |
| Formula | C9H7FN2O |
| InChI | InChI=1S/C9H7FN2O/c10-7-2-1-3-8(6-7)12-9(13)4-5-11/h1-3,6H,4H2,(H,12,13) |
| InChIKey | RUDCQQISSGIFRX-UHFFFAOYSA-N |
| Molecular Weight | 178.166 g/mol |
| SMILES | N(C(CC#N)=O)C=1C=C(F)C=CC1 |