| SpectraBase Compound ID | 2omyHvJk6qN |
|---|---|
| InChI | InChI=1S/C12H16OS/c1-4-11(13)12(2,3)14-10-8-6-5-7-9-10/h5-9H,4H2,1-3H3 |
| InChIKey | LNCVCFBYUFUWGO-UHFFFAOYSA-N |
| Mol Weight | 208.32 g/mol |
| Molecular Formula | C12H16OS |
| Exact Mass | 208.092186 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | FLr2hElPdkQ |
|---|---|
| Name | 3-Pentanone, 2-methyl-2-(phenylthio)- |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 208.092186308 u |
| Formula | C12H16OS |
| InChI | InChI=1S/C12H16OS/c1-4-11(13)12(2,3)14-10-8-6-5-7-9-10/h5-9H,4H2,1-3H3 |
| InChIKey | LNCVCFBYUFUWGO-UHFFFAOYSA-N |
| Molecular Weight | 208.319 g/mol |
| SMILES | C(SC1=CC=CC=C1)(C(=O)CC)(C)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.851529 |