| SpectraBase Compound ID | Kso35AQAp4W |
|---|---|
| InChI | InChI=1S/C8H8N2/c9-6-5-7-3-1-2-4-8(7)10/h1-4H,5,10H2 |
| InChIKey | LMDPYYUISNUGGT-UHFFFAOYSA-N |
| Mol Weight | 132.17 g/mol |
| Molecular Formula | C8H8N2 |
| Exact Mass | 132.068748 g/mol |
Raman Spectrum
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| SpectraBase Spectrum ID | 3VXP3jYfYkZ |
|---|---|
| Name | 2-Aminophenylacetonitrile |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 132.068748266 u |
| Formula | C8H8N2 |
| InChI | InChI=1S/C8H8N2/c9-6-5-7-3-1-2-4-8(7)10/h1-4H,5,10H2 |
| InChIKey | LMDPYYUISNUGGT-UHFFFAOYSA-N |
| Molecular Weight | 132.166 g/mol |
| SMILES | NC1=CC=CC=C1CC#N |
| Spectrum/Structure Validation Score (Raman) | 0.883632 |