| SpectraBase Compound ID | FPBlJ5asvZI |
|---|---|
| InChI | InChI=1S/C12H14O/c1-12(2,3)9-8-10-4-6-11(13)7-5-10/h4-7,13H,1-3H3 |
| InChIKey | XZMDLYGKIOELJD-UHFFFAOYSA-N |
| Mol Weight | 174.24 g/mol |
| Molecular Formula | C12H14O |
| Exact Mass | 174.104465 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | JAOSMlTFoat |
|---|---|
| Name | 4-(3,3-Dimethylbut-1-ynyl)phenol |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 174.104465070 u |
| Formula | C12H14O |
| InChI | InChI=1S/C12H14O/c1-12(2,3)9-8-10-4-6-11(13)7-5-10/h4-7,13H,1-3H3 |
| InChIKey | XZMDLYGKIOELJD-UHFFFAOYSA-N |
| Molecular Weight | 174.243 g/mol |
| SMILES | C=1(C=CC(=CC1)C#CC(C)(C)C)O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.937126 |