| SpectraBase Compound ID | ESrffgjzBDX |
|---|---|
| InChI | InChI=1S/C13H16O/c1-10-6-5-7-11(2)12(10)8-9-13(3,4)14/h5-7,14H,1-4H3 |
| InChIKey | VKLCYNAUWVEYJD-UHFFFAOYSA-N |
| Mol Weight | 188.27 g/mol |
| Molecular Formula | C13H16O |
| Exact Mass | 188.120115 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | KBmx4T5zTjS |
|---|---|
| Name | 4-(2,6-Dimethylphenyl)-2-methylbut-3-yn-2-ol |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 188.120115134 u |
| Formula | C13H16O |
| InChI | InChI=1S/C13H16O/c1-10-6-5-7-11(2)12(10)8-9-13(3,4)14/h5-7,14H,1-4H3 |
| InChIKey | VKLCYNAUWVEYJD-UHFFFAOYSA-N |
| Molecular Weight | 188.270 g/mol |
| SMILES | C1=CC=C(C(C#CC(C)(C)O)=C1C)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.805562 |