| SpectraBase Compound ID | 4JCPr2uMA2p |
|---|---|
| InChI | InChI=1S/C9H10N2/c1-6-3-4-8(5-10)7(2)9(6)11/h3-4H,11H2,1-2H3 |
| InChIKey | PQULLAVSZNQZSB-UHFFFAOYSA-N |
| Mol Weight | 146.19 g/mol |
| Molecular Formula | C9H10N2 |
| Exact Mass | 146.084398 g/mol |
Raman Spectrum
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| SpectraBase Spectrum ID | 8CuVgKHjucH |
|---|---|
| Name | 3-Amino-2,4-dimethylbenzonitrile |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 146.084398330 u |
| Formula | C9H10N2 |
| InChI | InChI=1S/C9H10N2/c1-6-3-4-8(5-10)7(2)9(6)11/h3-4H,11H2,1-2H3 |
| InChIKey | PQULLAVSZNQZSB-UHFFFAOYSA-N |
| Molecular Weight | 146.193 g/mol |
| SMILES | NC=1C(=CC=C(C1C)C#N)C |
| Spectrum/Structure Validation Score (Raman) | 0.912041 |