| SpectraBase Compound ID | 9HAJrwA4y8o |
|---|---|
| InChI | InChI=1S/C10H13FOS/c1-10(2,12)7-13-9-5-3-4-8(11)6-9/h3-6,12H,7H2,1-2H3 |
| InChIKey | LKUGADYABPENCH-UHFFFAOYSA-N |
| Mol Weight | 200.27 g/mol |
| Molecular Formula | C10H13FOS |
| Exact Mass | 200.067114 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 2l9JsKetkEt |
|---|---|
| Name | 1-((3-Fluorophenyl)thio)-2-methylpropan-2-ol |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 200.067114375 u |
| Formula | C10H13FOS |
| InChI | InChI=1S/C10H13FOS/c1-10(2,12)7-13-9-5-3-4-8(11)6-9/h3-6,12H,7H2,1-2H3 |
| InChIKey | LKUGADYABPENCH-UHFFFAOYSA-N |
| Molecular Weight | 200.271 g/mol |
| SMILES | C(C(C)(O)C)SC=1C=C(C=CC1)F |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.862867 |