| SpectraBase Compound ID | LmepEJ1KZw3 |
|---|---|
| InChI | InChI=1S/C7H3F2N/c8-6-2-1-5(4-10)7(9)3-6/h1-3H |
| InChIKey | LJFDXXUKKMEQKE-UHFFFAOYSA-N |
| Mol Weight | 139.1 g/mol |
| Molecular Formula | C7H3F2N |
| Exact Mass | 139.023355 g/mol |
Raman Spectrum
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| SpectraBase Spectrum ID | 29fUTwFwRXS |
|---|---|
| Name | 2,4-Difluorobenzonitrile |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 139.023355427 u |
| Formula | C7H3F2N |
| InChI | InChI=1S/C7H3F2N/c8-6-2-1-5(4-10)7(9)3-6/h1-3H |
| InChIKey | LJFDXXUKKMEQKE-UHFFFAOYSA-N |
| Molecular Weight | 139.105 g/mol |
| SMILES | C1(F)=C(C#N)C=CC(=C1)F |
| Spectrum/Structure Validation Score (Raman) | 0.916932 |