| SpectraBase Compound ID | Bn1TIUpTWAk |
|---|---|
| InChI | InChI=1S/C12H18O/c1-8-6-9(2)11(10(3)7-8)12(4,5)13/h6-7,13H,1-5H3 |
| InChIKey | JFDXATFYWOLYQQ-UHFFFAOYSA-N |
| Mol Weight | 178.27 g/mol |
| Molecular Formula | C12H18O |
| Exact Mass | 178.135765 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | flqQY0tBhT |
|---|---|
| Name | 2-(2,4,6-Trimethylphenyl)propan-2-ol |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 178.135765199 u |
| Formula | C12H18O |
| InChI | InChI=1S/C12H18O/c1-8-6-9(2)11(10(3)7-8)12(4,5)13/h6-7,13H,1-5H3 |
| InChIKey | JFDXATFYWOLYQQ-UHFFFAOYSA-N |
| Molecular Weight | 178.275 g/mol |
| SMILES | C(O)(C1=C(C)C=C(C)C=C1C)(C)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.943949 |