| SpectraBase Compound ID | K3oxTqtVMV6 |
|---|---|
| InChI | InChI=1S/2C4H8OS/c2*1-6-4-2-3-5/h2*3H,2,4H2,1H3 |
| InChIKey | KHNKYMYLMAFJSE-UHFFFAOYSA-N |
| Mol Weight | 208.33 g/mol |
| Molecular Formula | C8H16O2S2 |
| Exact Mass | 208.059172 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | AtNSFPfwxoK |
|---|---|
| Name | 3-(Methylthio)propionaldehyde-dimer -(B) |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 208.059172101 u |
| Formula | C8H16O2S2 |
| InChI | InChI=1S/2C4H8OS/c2*1-6-4-2-3-5/h2*3H,2,4H2,1H3 |
| InChIKey | KHNKYMYLMAFJSE-UHFFFAOYSA-N |
| Molecular Weight | 208.334 g/mol |
| SMILES | C(=O)CCSC.C(=O)CCSC |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.9689 |