| SpectraBase Compound ID | JlXnb1Y5p2C |
|---|---|
| InChI | InChI=1S/C13H13N/c14-10-12-8-4-5-9-13(12)11-6-2-1-3-7-11/h1-3,6-8,13H,4-5,9H2 |
| InChIKey | YCQNKKCAUVPJSK-UHFFFAOYSA-N |
| Mol Weight | 183.25 g/mol |
| Molecular Formula | C13H13N |
| Exact Mass | 183.104799 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 2sME3QvNEgQ |
|---|---|
| Name | 6-Phenyl-1-cyclohexenecarbonitrile |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 183.104799423 u |
| Formula | C13H13N |
| InChI | InChI=1S/C13H13N/c14-10-12-8-4-5-9-13(12)11-6-2-1-3-7-11/h1-3,6-8,13H,4-5,9H2 |
| InChIKey | YCQNKKCAUVPJSK-UHFFFAOYSA-N |
| Molecular Weight | 183.254 g/mol |
| SMILES | C=1(C#N)C(C=2C=CC=CC2)CCCC1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.877601 |