| SpectraBase Compound ID | IHXsNru6GDx |
|---|---|
| InChI | InChI=1S/C20H28O/c1-3-5-7-11-14-19(20(21)15-6-4-2)17-16-18-12-9-8-10-13-18/h8-13H,3-7,15-17H2,1-2H3 |
| InChIKey | CTZNEIPHLRTYBB-UHFFFAOYSA-N |
| Mol Weight | 284.44 g/mol |
| Molecular Formula | C20H28O |
| Exact Mass | 284.214016 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 5tB4FDF1bif |
|---|---|
| Name | 6-(2-Phenylethyl)-6,7-dodecadien-5-one |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 284.214015521 u |
| Formula | C20H28O |
| InChI | InChI=1S/C20H28O/c1-3-5-7-11-14-19(20(21)15-6-4-2)17-16-18-12-9-8-10-13-18/h8-13H,3-7,15-17H2,1-2H3 |
| InChIKey | CTZNEIPHLRTYBB-UHFFFAOYSA-N |
| SMILES | CCCCC(C(=C=CCCCC)CCC=1C=CC=CC1)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.982789 |