| SpectraBase Compound ID | 65SG4XWbRsm |
|---|---|
| InChI | InChI=1S/C8H8N2/c1-7(5-9)8-3-2-4-10-6-8/h2-4,6-7H,1H3 |
| InChIKey | ZQCJRXRGAZPPQV-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 | 8mLfnIuTxq0 |
|---|---|
| Name | 2-(3-Pyridinyl)propanenitrile |
| 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/c1-7(5-9)8-3-2-4-10-6-8/h2-4,6-7H,1H3 |
| InChIKey | ZQCJRXRGAZPPQV-UHFFFAOYSA-N |
| Molecular Weight | 132.166 g/mol |
| SMILES | C(#N)C(C=1C=NC=CC1)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.893 |