| SpectraBase Compound ID | 80BFLqIClbp |
|---|---|
| InChI | InChI=1S/C11H16OS/c1-9(2)11-6-4-10(5-7-11)8-13(3)12/h4-7,9H,8H2,1-3H3 |
| InChIKey | WMOOSPXWFROMPB-UHFFFAOYSA-N |
| Mol Weight | 196.31 g/mol |
| Molecular Formula | C11H16OS |
| Exact Mass | 196.092186 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | Li1lHCHm4Ao |
|---|---|
| Name | Methyl p-(isopropyl)benzyl sulfoxide |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 196.092186308 u |
| Formula | C11H16OS |
| InChI | InChI=1S/C11H16OS/c1-9(2)11-6-4-10(5-7-11)8-13(3)12/h4-7,9H,8H2,1-3H3 |
| InChIKey | WMOOSPXWFROMPB-UHFFFAOYSA-N |
| Molecular Weight | 196.308 g/mol |
| SMILES | C(S(=O)C)C1=CC=C(C=C1)C(C)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.866487 |