| SpectraBase Compound ID | A3isE0sFFRg |
|---|---|
| InChI | InChI=1S/C7H14S2/c1-3-7(2)8-5-4-6-9-7/h3-6H2,1-2H3 |
| InChIKey | DAEAQUKPISRNTB-UHFFFAOYSA-N |
| Mol Weight | 162.31 g/mol |
| Molecular Formula | C7H14S2 |
| Exact Mass | 162.053693 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | KVsF6negNed |
|---|---|
| Name | 2-Ethyl-2-methyl-1,3-dithiane |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 162.053692799 u |
| Formula | C7H14S2 |
| InChI | InChI=1S/C7H14S2/c1-3-7(2)8-5-4-6-9-7/h3-6H2,1-2H3 |
| InChIKey | DAEAQUKPISRNTB-UHFFFAOYSA-N |
| Molecular Weight | 162.309 g/mol |
| SMILES | C1(SCCCS1)(CC)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.881255 |