| SpectraBase Compound ID | 8LeZjBIvXgi |
|---|---|
| InChI | InChI=1S/C15H20O/c1-7-8-9-16-15-13(5)11(3)10(2)12(4)14(15)6/h9H2,1-6H3 |
| InChIKey | VMSQWBLLSLFHQA-UHFFFAOYSA-N |
| Mol Weight | 216.32 g/mol |
| Molecular Formula | C15H20O |
| Exact Mass | 216.151415 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 9OrciAUG3Kz |
|---|---|
| Name | Pentamethylphenyl-(but-2-yn-1-yl) ether |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 216.151415263 u |
| Formula | C15H20O |
| InChI | InChI=1S/C15H20O/c1-7-8-9-16-15-13(5)11(3)10(2)12(4)14(15)6/h9H2,1-6H3 |
| InChIKey | VMSQWBLLSLFHQA-UHFFFAOYSA-N |
| Molecular Weight | 216.324 g/mol |
| SMILES | C(OC=1C(=C(C(=C(C1C)C)C)C)C)C#CC |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.959009 |