| SpectraBase Compound ID | 6bNjrd1655R |
|---|---|
| InChI | InChI=1S/C13H8FNO/c14-11-3-7-13(8-4-11)16-12-5-1-10(9-15)2-6-12/h1-8H |
| InChIKey | NXVPHQNXBDDVCT-UHFFFAOYSA-N |
| Mol Weight | 213.21 g/mol |
| Molecular Formula | C13H8FNO |
| Exact Mass | 213.058992 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | Am5S9r8ieA9 |
|---|---|
| Name | 4-(4-Fluorophenoxy)benzonitrile |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 213.058992044 u |
| Formula | C13H8FNO |
| InChI | InChI=1S/C13H8FNO/c14-11-3-7-13(8-4-11)16-12-5-1-10(9-15)2-6-12/h1-8H |
| InChIKey | NXVPHQNXBDDVCT-UHFFFAOYSA-N |
| Molecular Weight | 213.211 g/mol |
| SMILES | C=1C(=CC=C(C1)F)OC=1C=CC(=CC1)C#N |