| SpectraBase Compound ID | CwpVuxUaQHA |
|---|---|
| InChI | InChI=1S/C9H11FOS/c1-7(11)6-12-9-4-2-8(10)3-5-9/h2-5,7,11H,6H2,1H3 |
| InChIKey | WUVWACXJEMGTSB-UHFFFAOYSA-N |
| Mol Weight | 186.24 g/mol |
| Molecular Formula | C9H11FOS |
| Exact Mass | 186.051464 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | IQGNaq7CbK1 |
|---|---|
| Name | 1-((4-Fluorophenyl)thio)propan-2-ol |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 186.051464310 u |
| Formula | C9H11FOS |
| InChI | InChI=1S/C9H11FOS/c1-7(11)6-12-9-4-2-8(10)3-5-9/h2-5,7,11H,6H2,1H3 |
| InChIKey | WUVWACXJEMGTSB-UHFFFAOYSA-N |
| Molecular Weight | 186.244 g/mol |
| SMILES | C=1(C=CC(F)=CC1)SCC(C)O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.909776 |