| SpectraBase Compound ID | H1yATH4c7EL |
|---|---|
| InChI | InChI=1S/C11H14OS/c1-3-13-9(2)11(12)10-7-5-4-6-8-10/h4-9H,3H2,1-2H3 |
| InChIKey | VPBYENPHNLJEMI-UHFFFAOYSA-N |
| Mol Weight | 194.29 g/mol |
| Molecular Formula | C11H14OS |
| Exact Mass | 194.076536 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 1HUIgos0Ky |
|---|---|
| Name | 2-(Ethylthio)-1-phenyl-propan-1-one |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 194.076536244 u |
| Formula | C11H14OS |
| InChI | InChI=1S/C11H14OS/c1-3-13-9(2)11(12)10-7-5-4-6-8-10/h4-9H,3H2,1-2H3 |
| InChIKey | VPBYENPHNLJEMI-UHFFFAOYSA-N |
| Molecular Weight | 194.292 g/mol |
| SMILES | C(=O)(C1=CC=CC=C1)C(SCC)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.946603 |