| SpectraBase Compound ID | 6nJ4cBJufK7 |
|---|---|
| InChI | InChI=1S/C17H11N/c18-12-13-5-3-8-15(11-13)17-10-4-7-14-6-1-2-9-16(14)17/h1-11H |
| InChIKey | BFXNGWKZHSBQQV-UHFFFAOYSA-N |
| Mol Weight | 229.28 g/mol |
| Molecular Formula | C17H11N |
| Exact Mass | 229.089149 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | Fs5JQpS7xOT |
|---|---|
| Name | 3-(1-Naphthalenyl)benzonitrile |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 229.089149358 u |
| Formula | C17H11N |
| InChI | InChI=1S/C17H11N/c18-12-13-5-3-8-15(11-13)17-10-4-7-14-6-1-2-9-16(14)17/h1-11H |
| InChIKey | BFXNGWKZHSBQQV-UHFFFAOYSA-N |
| Molecular Weight | 229.282 g/mol |
| SMILES | C=1(C=CC=C2C=CC=CC12)C=1C=C(C=CC1)C#N |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.930885 |