![2-Ethyl[1,3]dithiane](/api/spectrum/1U90Ofhefs4/structure.png?h=300&w=458 "2-Ethyl[1,3]dithiane")
| SpectraBase Compound ID | 4PatDi1mGaJ |
|---|---|
| InChI | InChI=1S/C6H12S2/c1-2-6-7-4-3-5-8-6/h6H,2-5H2,1H3 |
| InChIKey | MMCSAFCIQDJGDY-UHFFFAOYSA-N |
| Mol Weight | 148.28 g/mol |
| Molecular Formula | C6H12S2 |
| Exact Mass | 148.038043 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 1U90Ofhefs4 |
|---|---|
| Name | 2-Ethyl[1,3]dithiane |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 148.038042734 u |
| Formula | C6H12S2 |
| InChI | InChI=1S/C6H12S2/c1-2-6-7-4-3-5-8-6/h6H,2-5H2,1H3 |
| InChIKey | MMCSAFCIQDJGDY-UHFFFAOYSA-N |
| Molecular Weight | 148.282 g/mol |
| SMILES | C1CSC(SC1)CC |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.845002 |