| SpectraBase Compound ID | IF0VSwHtg9j |
|---|---|
| InChI | InChI=1S/C12H18OS/c1-12(2,9-10-14(3)13)11-7-5-4-6-8-11/h4-8H,9-10H2,1-3H3 |
| InChIKey | WNGLAJCWHDFNEN-UHFFFAOYSA-N |
| Mol Weight | 210.33 g/mol |
| Molecular Formula | C12H18OS |
| Exact Mass | 210.107836 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 8QI37FyxOUL |
|---|---|
| Name | (2-Methyl-4-methylsulfinyl-butan-2-yl)benzene |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 210.107836373 u |
| Formula | C12H18OS |
| InChI | InChI=1S/C12H18OS/c1-12(2,9-10-14(3)13)11-7-5-4-6-8-11/h4-8H,9-10H2,1-3H3 |
| InChIKey | WNGLAJCWHDFNEN-UHFFFAOYSA-N |
| Molecular Weight | 210.335 g/mol |
| SMILES | CS(=O)CCC(C)(C=1C=CC=CC1)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.944374 |