| SpectraBase Compound ID | ARSxam7ZbLd |
|---|---|
| InChI | InChI=1S/C12H18S/c1-5-13-11(4)12-7-6-9(2)8-10(12)3/h6-8,11H,5H2,1-4H3 |
| InChIKey | WQYGBPZXAUVYMH-UHFFFAOYSA-N |
| Mol Weight | 194.34 g/mol |
| Molecular Formula | C12H18S |
| Exact Mass | 194.112922 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | CuKOrNyDIBB |
|---|---|
| Name | 1-(2,4-Dimethylphenyl)diethyl sulfide |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 194.112921754 u |
| Formula | C12H18S |
| InChI | InChI=1S/C12H18S/c1-5-13-11(4)12-7-6-9(2)8-10(12)3/h6-8,11H,5H2,1-4H3 |
| InChIKey | WQYGBPZXAUVYMH-UHFFFAOYSA-N |
| Molecular Weight | 194.336 g/mol |
| SMILES | C(SCC)(C)C=1C(=CC(=CC1)C)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.921078 |