| SpectraBase Compound ID | 46FneD1CT85 |
|---|---|
| InChI | InChI=1S/C12H18O/c1-4-10-5-7-11(8-6-10)9-12(2,3)13/h5-8,13H,4,9H2,1-3H3 |
| InChIKey | MTUPKFOFZSTTPX-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 | BV9filo02uk |
|---|---|
| Name | 1-(4-Ethylphenyl)-2-methylpropan-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/c1-4-10-5-7-11(8-6-10)9-12(2,3)13/h5-8,13H,4,9H2,1-3H3 |
| InChIKey | MTUPKFOFZSTTPX-UHFFFAOYSA-N |
| Molecular Weight | 178.275 g/mol |
| SMILES | C1=C(C=CC(=C1)CC)CC(C)(C)O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.877496 |