| SpectraBase Compound ID | 6S2iCZmGMYb |
|---|---|
| InChI | InChI=1S/C9H16S/c1-8(2)5-6-9(3,4)7(8)10/h5-6H2,1-4H3 |
| InChIKey | DODPMKRONNEPQU-UHFFFAOYSA-N |
| Mol Weight | 156.29 g/mol |
| Molecular Formula | C9H16S |
| Exact Mass | 156.097272 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 98mCNTVhpSb |
|---|---|
| Name | 2,2,5,5-Tetramethylcyclopentane-1-thione |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 156.097271689 u |
| Formula | C9H16S |
| InChI | InChI=1S/C9H16S/c1-8(2)5-6-9(3,4)7(8)10/h5-6H2,1-4H3 |
| InChIKey | DODPMKRONNEPQU-UHFFFAOYSA-N |
| Molecular Weight | 156.287 g/mol |
| SMILES | C1(C(CCC1(C)C)(C)C)=S |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.92504 |