| SpectraBase Compound ID | BcpaWMZcdqM |
|---|---|
| InChI | InChI=1S/C12H14O2/c1-12(2,13)9-8-10-4-6-11(14-3)7-5-10/h4-7,13H,1-3H3 |
| InChIKey | ZONVQCWLESJSCK-UHFFFAOYSA-N |
| Mol Weight | 190.24 g/mol |
| Molecular Formula | C12H14O2 |
| Exact Mass | 190.09938 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | KFLbquUWfPK |
|---|---|
| Name | 4-(4-Methoxyphenyl)-2-methyl-3-butyn-2-ol |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 190.099379689 u |
| Formula | C12H14O2 |
| InChI | InChI=1S/C12H14O2/c1-12(2,13)9-8-10-4-6-11(14-3)7-5-10/h4-7,13H,1-3H3 |
| InChIKey | ZONVQCWLESJSCK-UHFFFAOYSA-N |
| Molecular Weight | 190.242 g/mol |
| SMILES | C(#CC=1C=CC(=CC1)OC)C(O)(C)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.956194 |