| SpectraBase Compound ID | I2hJBluQTFd |
|---|---|
| InChI | InChI=1S/C6H12O2S/c1-3-5-6(4-2)9(5,7)8/h5-6H,3-4H2,1-2H3 |
| InChIKey | UUYDAGRDOHSAIN-UHFFFAOYSA-N |
| Mol Weight | 148.22 g/mol |
| Molecular Formula | C6H12O2S |
| Exact Mass | 148.055801 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | JI5D7SfiubV |
|---|---|
| Name | 2,3-Diethylthiirane 1,1-dioxide |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 148.055800798 u |
| Formula | C6H12O2S |
| InChI | InChI=1S/C6H12O2S/c1-3-5-6(4-2)9(5,7)8/h5-6H,3-4H2,1-2H3 |
| InChIKey | UUYDAGRDOHSAIN-UHFFFAOYSA-N |
| Molecular Weight | 148.220 g/mol |
| SMILES | C1(S(C1CC)(=O)=O)CC |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.949273 |