![Benzonitrile, 4-[(2-propenylimino)methyl]-](/api/spectrum/4ziXUWnPFSl/structure.png?h=300&w=458 "Benzonitrile, 4-[(2-propenylimino)methyl]-")
| SpectraBase Compound ID | LoqWIAPiuGn |
|---|---|
| InChI | InChI=1S/C11H10N2/c1-2-7-13-9-11-5-3-10(8-12)4-6-11/h2-6,9H,1,7H2/b13-9+ |
| InChIKey | YMKLGUJRSFYOGO-UKTHLTGXSA-N |
| Mol Weight | 170.21 g/mol |
| Molecular Formula | C11H10N2 |
| Exact Mass | 170.084398 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 4ziXUWnPFSl |
|---|---|
| Name | Benzonitrile, 4-[(2-propenylimino)methyl]- |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 170.084398330 u |
| Formula | C11H10N2 |
| InChI | InChI=1S/C11H10N2/c1-2-7-13-9-11-5-3-10(8-12)4-6-11/h2-6,9H,1,7H2/b13-9+ |
| InChIKey | YMKLGUJRSFYOGO-UKTHLTGXSA-N |
| Molecular Weight | 170.215 g/mol |
| SMILES | C(#N)C1=CC=C(\C=N\CC=C)C=C1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.972162 |