| SpectraBase Compound ID | APUm33WmTXS |
|---|---|
| InChI | InChI=1S/C8H5F2N/c9-8(10)7-4-2-1-3-6(7)5-11/h1-4,8H |
| InChIKey | VZLPLYDPKXQAIA-UHFFFAOYSA-N |
| Mol Weight | 153.13 g/mol |
| Molecular Formula | C8H5F2N |
| Exact Mass | 153.039005 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 9ie8ClRc2kT |
|---|---|
| Name | 2-(Difluoromethyl)benzonitrile |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 153.039005491 u |
| Formula | C8H5F2N |
| InChI | InChI=1S/C8H5F2N/c9-8(10)7-4-2-1-3-6(7)5-11/h1-4,8H |
| InChIKey | VZLPLYDPKXQAIA-UHFFFAOYSA-N |
| Molecular Weight | 153.132 g/mol |
| SMILES | C=1C=C(C(F)F)C(=CC1)C#N |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.880028 |