| SpectraBase Compound ID | 8f1xECr4UfN |
|---|---|
| InChI | InChI=1S/C12H18O/c1-8-7-11(13)9(2)6-10(8)12(3,4)5/h6-7,13H,1-5H3 |
| InChIKey | ZSPDNAYHQYQUPC-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 | 2b03ZnfcRm9 |
|---|---|
| Name | Phenol, 4-(1,1-dimethylethyl)-2,5-dimethyl- |
| 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/c1-8-7-11(13)9(2)6-10(8)12(3,4)5/h6-7,13H,1-5H3 |
| InChIKey | ZSPDNAYHQYQUPC-UHFFFAOYSA-N |
| Molecular Weight | 178.275 g/mol |
| SMILES | C=1(C=C(C)C(=CC1C)O)C(C)(C)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.972578 |