| SpectraBase Compound ID | 2gtQHD69sIj |
|---|---|
| InChI | InChI=1S/C8H5N3/c9-4-6-2-1-3-8(11)7(6)5-10/h1-3H,11H2 |
| InChIKey | IHCNWWQQHZNTSG-UHFFFAOYSA-N |
| Mol Weight | 143.15 g/mol |
| Molecular Formula | C8H5N3 |
| Exact Mass | 143.048347 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 6bd8zx8UQjZ |
|---|---|
| Name | 3-Aminophthalonitrile |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 143.048347173 u |
| Formula | C8H5N3 |
| InChI | InChI=1S/C8H5N3/c9-4-6-2-1-3-8(11)7(6)5-10/h1-3H,11H2 |
| InChIKey | IHCNWWQQHZNTSG-UHFFFAOYSA-N |
| Molecular Weight | 143.149 g/mol |
| SMILES | C1=C(C(=C(C=C1)N)C#N)C#N |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.926049 |