| SpectraBase Compound ID | 4nrzMEyscBH |
|---|---|
| InChI | InChI=1S/C7H4F2N2/c8-6-1-4(11)2-7(9)5(6)3-10/h1-2H,11H2 |
| InChIKey | XVAWRQGGPSIPGP-UHFFFAOYSA-N |
| Mol Weight | 154.12 g/mol |
| Molecular Formula | C7H4F2N2 |
| Exact Mass | 154.034254 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | JJrAj6DjyMI |
|---|---|
| Name | 4-Amino-2,6-difluorobenzonitrile |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 154.034254463 u |
| Formula | C7H4F2N2 |
| InChI | InChI=1S/C7H4F2N2/c8-6-1-4(11)2-7(9)5(6)3-10/h1-2H,11H2 |
| InChIKey | XVAWRQGGPSIPGP-UHFFFAOYSA-N |
| Molecular Weight | 154.120 g/mol |
| SMILES | C1(F)=C(C(=CC(=C1)N)F)C#N |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.904976 |