| SpectraBase Compound ID | KjneGdLPuoY |
|---|---|
| InChI | InChI=1S/C7H14S/c1-6-3-4-8-7(2)5-6/h6-7H,3-5H2,1-2H3/t6-,7-/m1/s1 |
| InChIKey | ZUJJNQJNBRWNQH-RNFRBKRXSA-N |
| Mol Weight | 130.25 g/mol |
| Molecular Formula | C7H14S |
| Exact Mass | 130.081622 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | CtKUMaTYECy |
|---|---|
| Name | cis-2,4-Dimethylthiane |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 130.081621625 u |
| Formula | C7H14S |
| InChI | InChI=1S/C7H14S/c1-6-3-4-8-7(2)5-6/h6-7H,3-5H2,1-2H3/t6-,7-/m1/s1 |
| InChIKey | ZUJJNQJNBRWNQH-RNFRBKRXSA-N |
| Molecular Weight | 130.249 g/mol |
| SMILES | C1[C@](C[C@](SC1)(C)[H])(C)[H] |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.936463 |