| SpectraBase Compound ID | 9PAYjfkQMEv |
|---|---|
| InChI | InChI=1S/C9H8FN/c1-7-2-4-8(5-3-7)9(10)6-11/h2-5,9H,1H3 |
| InChIKey | NXBMFRPCCALTNX-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 | 9hXFppAlqP1 |
|---|---|
| Name | p-Methylphenylfluoroacetonitrile |
| 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/c1-7-2-4-8(5-3-7)9(10)6-11/h2-5,9H,1H3 |
| InChIKey | NXBMFRPCCALTNX-UHFFFAOYSA-N |
| Molecular Weight | 149.168 g/mol |
| SMILES | C(#N)C(C=1C=CC(=CC1)C)F |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.921306 |