| SpectraBase Compound ID | 8k0Pmv4FBO5 |
|---|---|
| InChI | InChI=1S/C11H14O2/c12-9-5-4-8-11(13)10-6-2-1-3-7-10/h1-3,6-7,12H,4-5,8-9H2 |
| InChIKey | JDXNTJVIHPAPPZ-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 | K9AINXziDk0 |
|---|---|
| Name | 5-Hydroxy-1-phenylpentan-1-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/c12-9-5-4-8-11(13)10-6-2-1-3-7-10/h1-3,6-7,12H,4-5,8-9H2 |
| InChIKey | JDXNTJVIHPAPPZ-UHFFFAOYSA-N |
| Molecular Weight | 178.231 g/mol |
| SMILES | C(=O)(C1=CC=CC=C1)CCCCO |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.959245 |