| SpectraBase Compound ID | 7D5hmuteTMK |
|---|---|
| InChI | InChI=1S/C8H5F2N/c9-7-3-1-2-6(4-5-11)8(7)10/h1-3H,4H2 |
| InChIKey | IYRCHGRRMKOSHW-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 | 3Iuv3VIekjr |
|---|---|
| Name | 2,3-Difluorophenylacetonitrile |
| 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/c9-7-3-1-2-6(4-5-11)8(7)10/h1-3H,4H2 |
| InChIKey | IYRCHGRRMKOSHW-UHFFFAOYSA-N |
| Molecular Weight | 153.132 g/mol |
| SMILES | C1=C(C(=C(C=C1)F)F)CC#N |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.860607 |