| SpectraBase Compound ID | BeTeoGIJk60 |
|---|---|
| InChI | InChI=1S/C15H22O/c1-2-3-4-5-7-12-15(13-16)14-10-8-6-9-11-14/h6,8-12,16H,2-5,7,13H2,1H3/b15-12- |
| InChIKey | SOSDYLHMRKLWJS-QINSGFPZSA-N |
| Mol Weight | 218.34 g/mol |
| Molecular Formula | C15H22O |
| Exact Mass | 218.167065 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 7fIoKx6zqoK |
|---|---|
| Name | 2-Phenyl-2-ninenol |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 218.167065327 u |
| Formula | C15H22O |
| InChI | InChI=1S/C15H22O/c1-2-3-4-5-7-12-15(13-16)14-10-8-6-9-11-14/h6,8-12,16H,2-5,7,13H2,1H3/b15-12- |
| InChIKey | SOSDYLHMRKLWJS-QINSGFPZSA-N |
| Molecular Weight | 218.340 g/mol |
| SMILES | C(CCCC\C=C\(CO)C1=CC=CC=C1)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.873898 |