| SpectraBase Compound ID | JQKLhTIYHIH |
|---|---|
| InChI | InChI=1S/C10H9N3/c1-6-3-7(2)9(5-12)10(13)8(6)4-11/h3H,13H2,1-2H3 |
| InChIKey | MMZNMKQTEGNFOB-UHFFFAOYSA-N |
| Mol Weight | 171.2 g/mol |
| Molecular Formula | C10H9N3 |
| Exact Mass | 171.079647 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 5e1Ebl7rR2O |
|---|---|
| Name | 2-Amino-4,6-dimethylisophthalonitrile |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 171.079647302 u |
| Formula | C10H9N3 |
| InChI | InChI=1S/C10H9N3/c1-6-3-7(2)9(5-12)10(13)8(6)4-11/h3H,13H2,1-2H3 |
| InChIKey | MMZNMKQTEGNFOB-UHFFFAOYSA-N |
| Molecular Weight | 171.203 g/mol |
| SMILES | C1(=C(C=C(C(=C1N)C#N)C)C)C#N |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.952329 |