| SpectraBase Compound ID | GF40FXGftna |
|---|---|
| InChI | InChI=1S/C13H18/c1-4-13(5-2,6-3)12-10-8-7-9-11-12/h4,7-11H,1,5-6H2,2-3H3 |
| InChIKey | JUYLWJTWBDJSLZ-UHFFFAOYSA-N |
| Mol Weight | 174.29 g/mol |
| Molecular Formula | C13H18 |
| Exact Mass | 174.140851 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | KFEv7Ig9Twl |
|---|---|
| Name | 3-Ethyl-3-phenyl-1-pentene |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 174.140850580 u |
| Formula | C13H18 |
| InChI | InChI=1S/C13H18/c1-4-13(5-2,6-3)12-10-8-7-9-11-12/h4,7-11H,1,5-6H2,2-3H3 |
| InChIKey | JUYLWJTWBDJSLZ-UHFFFAOYSA-N |
| Molecular Weight | 174.287 g/mol |
| SMILES | C1=CC(=CC=C1)C(CC)(C=C)CC |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.961457 |