| SpectraBase Compound ID | 2WeqYj2rDCN |
|---|---|
| InChI | InChI=1S/C6H12S/c1-5-6(2,3)4-7-5/h5H,4H2,1-3H3 |
| InChIKey | OGPNKBIRXFJDIZ-UHFFFAOYSA-N |
| Mol Weight | 116.22 g/mol |
| Molecular Formula | C6H12S |
| Exact Mass | 116.065972 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | E7Gi8TdRUxt |
|---|---|
| Name | 2,3,3-Trimethylthietane |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 116.065971560 u |
| Formula | C6H12S |
| InChI | InChI=1S/C6H12S/c1-5-6(2,3)4-7-5/h5H,4H2,1-3H3 |
| InChIKey | OGPNKBIRXFJDIZ-UHFFFAOYSA-N |
| Molecular Weight | 116.222 g/mol |
| SMILES | C1(SCC1(C)C)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.922357 |