| SpectraBase Compound ID | 63sd82YlBLs |
|---|---|
| InChI | InChI=1S/C8H6F2N2/c1-12-8-5(4-11)2-6(9)3-7(8)10/h2-3,12H,1H3 |
| InChIKey | UNEQFCKJQXQABL-UHFFFAOYSA-N |
| Mol Weight | 168.15 g/mol |
| Molecular Formula | C8H6F2N2 |
| Exact Mass | 168.049905 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 96y0ogrbys9 |
|---|---|
| Name | 2-Amino-3,5-difluorobenzonitrile, N-methyl- |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 168.049904527 u |
| Formula | C8H6F2N2 |
| InChI | InChI=1S/C8H6F2N2/c1-12-8-5(4-11)2-6(9)3-7(8)10/h2-3,12H,1H3 |
| InChIKey | UNEQFCKJQXQABL-UHFFFAOYSA-N |
| Molecular Weight | 168.147 g/mol |
| SMILES | C1(F)=C(C(=CC(=C1)F)C#N)NC |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.809387 |