| SpectraBase Compound ID | 3iIjaUj8b5x |
|---|---|
| InChI | InChI=1S/C15H13N/c16-12-15-10-8-14(9-11-15)7-6-13-4-2-1-3-5-13/h1-5,8-11H,6-7H2 |
| InChIKey | HMQUZFVNFHUENY-UHFFFAOYSA-N |
| Mol Weight | 207.28 g/mol |
| Molecular Formula | C15H13N |
| Exact Mass | 207.104799 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 6AOAVJAw46G |
|---|---|
| Name | 4-(2-Phenylethyl)benzonitrile |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 207.104799423 u |
| Formula | C15H13N |
| InChI | InChI=1S/C15H13N/c16-12-15-10-8-14(9-11-15)7-6-13-4-2-1-3-5-13/h1-5,8-11H,6-7H2 |
| InChIKey | HMQUZFVNFHUENY-UHFFFAOYSA-N |
| Molecular Weight | 207.276 g/mol |
| SMILES | C(#N)C1=CC=C(CCC2=CC=CC=C2)C=C1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.891347 |