| SpectraBase Compound ID | K6YY3QVpj0Z |
|---|---|
| InChI | InChI=1S/C14H11N/c1-11-6-2-4-8-13(11)14-9-5-3-7-12(14)10-15/h2-9H,1H3 |
| InChIKey | CKDXMVPILZEZSP-UHFFFAOYSA-N |
| Mol Weight | 193.25 g/mol |
| Molecular Formula | C14H11N |
| Exact Mass | 193.089149 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | Dj7VADdBKAT |
|---|---|
| Name | 2-(2-Methylphenyl)benzonitrile |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 193.089149358 u |
| Formula | C14H11N |
| InChI | InChI=1S/C14H11N/c1-11-6-2-4-8-13(11)14-9-5-3-7-12(14)10-15/h2-9H,1H3 |
| InChIKey | CKDXMVPILZEZSP-UHFFFAOYSA-N |
| Molecular Weight | 193.249 g/mol |
| SMILES | C(#N)C=1C(C2=C(C=CC=C2)C)=CC=CC1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.966696 |