| SpectraBase Compound ID | ElCNRi6e6YY |
|---|---|
| InChI | InChI=1S/C10H10FN/c1-8(6-7-12)9-2-4-10(11)5-3-9/h2-5,8H,6H2,1H3 |
| InChIKey | QPYILSRABHQZGK-UHFFFAOYSA-N |
| Mol Weight | 163.2 g/mol |
| Molecular Formula | C10H10FN |
| Exact Mass | 163.079727 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 2S6GXSNLgyy |
|---|---|
| Name | 3-(4-Fluorophenyl)butanenitrile |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 163.079727489 u |
| Formula | C10H10FN |
| InChI | InChI=1S/C10H10FN/c1-8(6-7-12)9-2-4-10(11)5-3-9/h2-5,8H,6H2,1H3 |
| InChIKey | QPYILSRABHQZGK-UHFFFAOYSA-N |
| Molecular Weight | 163.195 g/mol |
| SMILES | C=1C=C(C(CC#N)C)C=CC1F |