| SpectraBase Compound ID | BXYFbcyO7sT |
|---|---|
| InChI | InChI=1S/C8H6N2/c1-7(5-9)8-3-2-4-10-6-8/h2-4,6H,1H2 |
| InChIKey | OKYVYXRJEDLDPS-UHFFFAOYSA-N |
| Mol Weight | 130.15 g/mol |
| Molecular Formula | C8H6N2 |
| Exact Mass | 130.053098 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | CWpy0BeJ41z |
|---|---|
| Name | 2-(3-Pyridinyl)-2-propenenitrile |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 130.053098201 u |
| Formula | C8H6N2 |
| InChI | InChI=1S/C8H6N2/c1-7(5-9)8-3-2-4-10-6-8/h2-4,6H,1H2 |
| InChIKey | OKYVYXRJEDLDPS-UHFFFAOYSA-N |
| Molecular Weight | 130.150 g/mol |
| SMILES | C(#N)C(C=1C=NC=CC1)=C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.905171 |