| SpectraBase Compound ID | LDKZZqFFwSl |
|---|---|
| InChI | InChI=1S/C13H14N2/c1-2-13(10-14,11-15)9-8-12-6-4-3-5-7-12/h3-7H,2,8-9H2,1H3 |
| InChIKey | ADIPECFSLWBJSA-UHFFFAOYSA-N |
| Mol Weight | 198.27 g/mol |
| Molecular Formula | C13H14N2 |
| Exact Mass | 198.115698 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 6Es3wWpaFEB |
|---|---|
| Name | 2-Phenylethyl-2-ethylmalononitrile |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 198.115698459 u |
| Formula | C13H14N2 |
| InChI | InChI=1S/C13H14N2/c1-2-13(10-14,11-15)9-8-12-6-4-3-5-7-12/h3-7H,2,8-9H2,1H3 |
| InChIKey | ADIPECFSLWBJSA-UHFFFAOYSA-N |
| Molecular Weight | 198.269 g/mol |
| SMILES | C(#N)C(C#N)(CCC=1C=CC=CC1)CC |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.812032 |