| SpectraBase Compound ID | ITETNYqHops |
|---|---|
| InChI | InChI=1S/C9H7F2NO/c1-13-8-4-2-3-7(5-8)9(10,11)6-12/h2-5H,1H3 |
| InChIKey | KCOHFNKWZTUHKD-UHFFFAOYSA-N |
| Mol Weight | 183.16 g/mol |
| Molecular Formula | C9H7F2NO |
| Exact Mass | 183.04957 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | C6r2mv6vibX |
|---|---|
| Name | 2,2-Difluoro-2-(3-methoxyphenyl)-acetonitrile |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 183.049570174 u |
| Formula | C9H7F2NO |
| InChI | InChI=1S/C9H7F2NO/c1-13-8-4-2-3-7(5-8)9(10,11)6-12/h2-5H,1H3 |
| InChIKey | KCOHFNKWZTUHKD-UHFFFAOYSA-N |
| Molecular Weight | 183.158 g/mol |
| SMILES | C1(OC)=CC=CC(=C1)C(F)(F)C#N |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.89931 |