| SpectraBase Compound ID | GPGpdMlKe7O |
|---|---|
| InChI | InChI=1S/C9H9FN2/c1-6-3-7(5-11)8(10)4-9(6)12-2/h3-4,12H,1-2H3 |
| InChIKey | RBQQIYBBPVZCQE-UHFFFAOYSA-N |
| Mol Weight | 164.18 g/mol |
| Molecular Formula | C9H9FN2 |
| Exact Mass | 164.074976 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | GGKfI4nEw4W |
|---|---|
| Name | 4-Amino-2-fluoro-5-methylbenzonitrile, N-methyl- |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 164.074976461 u |
| Formula | C9H9FN2 |
| InChI | InChI=1S/C9H9FN2/c1-6-3-7(5-11)8(10)4-9(6)12-2/h3-4,12H,1-2H3 |
| InChIKey | RBQQIYBBPVZCQE-UHFFFAOYSA-N |
| Molecular Weight | 164.183 g/mol |
| SMILES | C1(F)=C(C=C(C(=C1)NC)C)C#N |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.947528 |