| SpectraBase Compound ID | aTsSnlITKV |
|---|---|
| InChI | InChI=1S/C9H8FN/c10-9-5-1-3-8(7-9)4-2-6-11/h1,3,5,7H,2,4H2 |
| InChIKey | HSQZIMFMEVQRMO-UHFFFAOYSA-N |
| Mol Weight | 149.17 g/mol |
| Molecular Formula | C9H8FN |
| Exact Mass | 149.064077 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | Cg7BQ3laRKe |
|---|---|
| Name | 3-(3-Fluorophenyl)propanenitrile |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 149.064077425 u |
| Formula | C9H8FN |
| InChI | InChI=1S/C9H8FN/c10-9-5-1-3-8(7-9)4-2-6-11/h1,3,5,7H,2,4H2 |
| InChIKey | HSQZIMFMEVQRMO-UHFFFAOYSA-N |
| Molecular Weight | 149.168 g/mol |
| SMILES | C=1(C=C(CCC#N)C=CC1)F |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.881523 |