| SpectraBase Compound ID | 19oENkM7wbn |
|---|---|
| InChI | InChI=1S/C8H8N2/c9-5-4-7-2-1-3-8(10)6-7/h1-3,6H,4,10H2 |
| InChIKey | YIZRGZCXUWSHLN-UHFFFAOYSA-N |
| Mol Weight | 132.17 g/mol |
| Molecular Formula | C8H8N2 |
| Exact Mass | 132.068748 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 2VrAByki1M6 |
|---|---|
| Name | (3-Aminophenyl)acetonitrile |
| 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/c9-5-4-7-2-1-3-8(10)6-7/h1-3,6H,4,10H2 |
| InChIKey | YIZRGZCXUWSHLN-UHFFFAOYSA-N |
| Molecular Weight | 132.166 g/mol |
| SMILES | C1(N)=CC(=CC=C1)CC#N |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.976797 |