| SpectraBase Compound ID | JBNNZLcYy0N |
|---|---|
| InChI | InChI=1S/C11H16OS/c1-11(2,3)13(12)9-10-7-5-4-6-8-10/h4-8H,9H2,1-3H3 |
| InChIKey | HOHHGPSMIBONTK-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 | EZXmsNNBpk0 |
|---|---|
| Name | alpha-(Tert-butylsulfinyl)toluene |
| 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/c1-11(2,3)13(12)9-10-7-5-4-6-8-10/h4-8H,9H2,1-3H3 |
| InChIKey | HOHHGPSMIBONTK-UHFFFAOYSA-N |
| Molecular Weight | 196.308 g/mol |
| SMILES | C1=CC=CC(=C1)CS(C(C)(C)C)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.880509 |