| SpectraBase Compound ID | 1jgVAU0rhgt |
|---|---|
| InChI | InChI=1S/C11H14OS/c1-13-9-11(12)8-7-10-5-3-2-4-6-10/h2-6H,7-9H2,1H3 |
| InChIKey | QBMAKZMFYWMIOW-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 | EqSpQct0EM3 |
|---|---|
| Name | 1-(Methylthio)-4-phenyl-2-butanone |
| 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/c1-13-9-11(12)8-7-10-5-3-2-4-6-10/h2-6H,7-9H2,1H3 |
| InChIKey | QBMAKZMFYWMIOW-UHFFFAOYSA-N |
| Molecular Weight | 194.292 g/mol |
| SMILES | C(=O)(CCC=1C=CC=CC1)CSC |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.928237 |