| SpectraBase Compound ID | 9qWePCyxDiq |
|---|---|
| InChI | InChI=1S/C11H16S/c1-6-7(2)9(4)11(12)10(5)8(6)3/h12H,1-5H3 |
| InChIKey | TZUPAWCZQMMBGH-UHFFFAOYSA-N |
| Mol Weight | 180.31 g/mol |
| Molecular Formula | C11H16S |
| Exact Mass | 180.097272 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | EGG4P6OHxDw |
|---|---|
| Name | Pentamethylthiophenol |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 180.097271689 u |
| Formula | C11H16S |
| InChI | InChI=1S/C11H16S/c1-6-7(2)9(4)11(12)10(5)8(6)3/h12H,1-5H3 |
| InChIKey | TZUPAWCZQMMBGH-UHFFFAOYSA-N |
| Molecular Weight | 180.309 g/mol |
| SMILES | Sc1c(c(c(c(c1C)C)C)C)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.959619 |