| SpectraBase Compound ID | InpmpfTSX38 |
|---|---|
| InChI | InChI=1S/C11H14O2/c1-9(11(13)7-8-12)10-5-3-2-4-6-10/h2-6,9,12H,7-8H2,1H3 |
| InChIKey | AJEAFWOGDOEXBT-UHFFFAOYSA-N |
| Mol Weight | 178.23 g/mol |
| Molecular Formula | C11H14O2 |
| Exact Mass | 178.09938 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 4BoEIeVtUdc |
|---|---|
| Name | 1-Hydroxy-4-phenylpentan-3-one |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 178.099379689 u |
| Formula | C11H14O2 |
| InChI | InChI=1S/C11H14O2/c1-9(11(13)7-8-12)10-5-3-2-4-6-10/h2-6,9,12H,7-8H2,1H3 |
| InChIKey | AJEAFWOGDOEXBT-UHFFFAOYSA-N |
| Molecular Weight | 178.231 g/mol |
| SMILES | C(CC(C(C)C=1C=CC=CC1)=O)O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.945518 |