| SpectraBase Compound ID | BJTsEQKxtAq |
|---|---|
| InChI | InChI=1S/C16H18O/c1-13(17)12-16(14-8-4-2-5-9-14)15-10-6-3-7-11-15/h2-11,13,16-17H,12H2,1H3 |
| InChIKey | KKNYDJZIOUFYLA-UHFFFAOYSA-N |
| Mol Weight | 226.32 g/mol |
| Molecular Formula | C16H18O |
| Exact Mass | 226.135765 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | JcBQoPfEnwG |
|---|---|
| Name | 4,4-Diphenyl-2-butanol |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 226.135765199 u |
| Formula | C16H18O |
| InChI | InChI=1S/C16H18O/c1-13(17)12-16(14-8-4-2-5-9-14)15-10-6-3-7-11-15/h2-11,13,16-17H,12H2,1H3 |
| InChIKey | KKNYDJZIOUFYLA-UHFFFAOYSA-N |
| Molecular Weight | 226.319 g/mol |
| SMILES | C(CC(O)C)(C1=CC=CC=C1)C=1C=CC=CC1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.971739 |