| SpectraBase Compound ID | BzaBvjg3atX |
|---|---|
| InChI | InChI=1S/C9H6FN/c10-9-6-2-1-4-8(9)5-3-7-11/h1-6H/b5-3+ |
| InChIKey | PHVAIUKSVSLOFD-HWKANZROSA-N |
| Mol Weight | 147.15 g/mol |
| Molecular Formula | C9H6FN |
| Exact Mass | 147.048427 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | LdZKK7jicnM |
|---|---|
| Name | 3-(2-Fluorophenyl)acrylonitrile |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 147.048427360 u |
| Formula | C9H6FN |
| InChI | InChI=1S/C9H6FN/c10-9-6-2-1-4-8(9)5-3-7-11/h1-6H/b5-3+ |
| InChIKey | PHVAIUKSVSLOFD-HWKANZROSA-N |
| Molecular Weight | 147.152 g/mol |
| SMILES | C1(=C(C=CC=C1)F)\C=C\C#N |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.885373 |