| SpectraBase Compound ID | 49NWb7uf4B4 |
|---|---|
| InChI | InChI=1S/C12H13N/c1-11-7-4-5-9-12(11)8-3-2-6-10-13/h3-5,7-9H,2,6H2,1H3/b8-3- |
| InChIKey | BERZVKCHGLASSF-BAQGIRSFSA-N |
| Mol Weight | 171.24 g/mol |
| Molecular Formula | C12H13N |
| Exact Mass | 171.104799 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 2d1LYIvK5Ek |
|---|---|
| Name | (4Z)-5-(2-Methylphenyl)-4-pentenenitrile |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 171.104799423 u |
| Formula | C12H13N |
| InChI | InChI=1S/C12H13N/c1-11-7-4-5-9-12(11)8-3-2-6-10-13/h3-5,7-9H,2,6H2,1H3/b8-3- |
| InChIKey | BERZVKCHGLASSF-BAQGIRSFSA-N |
| Molecular Weight | 171.243 g/mol |
| SMILES | C1=CC=C(C)C(=C1)\C=C/CCC#N |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.804933 |