| SpectraBase Compound ID | 36EipGwmdIg |
|---|---|
| InChI | InChI=1S/C9H8FNO/c1-12-9-3-2-7(4-5-11)6-8(9)10/h2-3,6H,4H2,1H3 |
| InChIKey | OFCMGCZEFVKTAN-UHFFFAOYSA-N |
| Mol Weight | 165.17 g/mol |
| Molecular Formula | C9H8FNO |
| Exact Mass | 165.058992 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | LTFrALG5pd5 |
|---|---|
| Name | 3-Fluoro-4-methoxyphenylacetonitrile |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 165.058992044 u |
| Formula | C9H8FNO |
| InChI | InChI=1S/C9H8FNO/c1-12-9-3-2-7(4-5-11)6-8(9)10/h2-3,6H,4H2,1H3 |
| InChIKey | OFCMGCZEFVKTAN-UHFFFAOYSA-N |
| Molecular Weight | 165.167 g/mol |
| SMILES | C1=C(C=CC(=C1F)OC)CC#N |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.940462 |