![[1,4]Dithian-2-one](/api/spectrum/C4iNRGpOkku/structure.png?h=300&w=458 "[1,4]Dithian-2-one")
| SpectraBase Compound ID | LjpGOZvdrNN |
|---|---|
| InChI | InChI=1S/C4H6OS2/c5-4-3-6-1-2-7-4/h1-3H2 |
| InChIKey | VNIKIUODQDOWSN-UHFFFAOYSA-N |
| Mol Weight | 134.21 g/mol |
| Molecular Formula | C4H6OS2 |
| Exact Mass | 133.986007 g/mol |
Vapor Phase (Gas) Infrared Spectrum
View the Full Spectrum for FREE!
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | C4iNRGpOkku |
|---|---|
| Name | [1,4]Dithian-2-one |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 133.986007160 u |
| Formula | C4H6OS2 |
| InChI | InChI=1S/C4H6OS2/c5-4-3-6-1-2-7-4/h1-3H2 |
| InChIKey | VNIKIUODQDOWSN-UHFFFAOYSA-N |
| Molecular Weight | 134.211 g/mol |
| SMILES | C1(SCCSC1)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.958493 |