| SpectraBase Compound ID | HyL5kBwkOhs |
|---|---|
| InChI | InChI=1S/C21H13N/c22-14-20-16-10-4-6-12-18(16)21(15-8-2-1-3-9-15)19-13-7-5-11-17(19)20/h1-13H |
| InChIKey | MXLGJINMBYMEPQ-UHFFFAOYSA-N |
| Mol Weight | 279.34 g/mol |
| Molecular Formula | C21H13N |
| Exact Mass | 279.104799 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 4PwYqeQlYHj |
|---|---|
| Name | 10-Phenyl-9-anthracenecarbonitrile |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 279.104799423 u |
| Formula | C21H13N |
| InChI | InChI=1S/C21H13N/c22-14-20-16-10-4-6-12-18(16)21(15-8-2-1-3-9-15)19-13-7-5-11-17(19)20/h1-13H |
| InChIKey | MXLGJINMBYMEPQ-UHFFFAOYSA-N |
| SMILES | c1ccc2c(c1)c(c1c(c2-c2ccccc2)cccc1)C#N |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.870354 |