| SpectraBase Compound ID | 8RWP53PPUsy |
|---|---|
| InChI | InChI=1S/C5H10S2/c1-3-5(6)7-4-2/h3-4H2,1-2H3 |
| InChIKey | WHQPNJDXIICPAH-UHFFFAOYSA-N |
| Mol Weight | 134.25 g/mol |
| Molecular Formula | C5H10S2 |
| Exact Mass | 134.022393 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 2JzgijhnCxI |
|---|---|
| Name | Propane(dithioic) acid, ethyl ester |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 134.022392670 u |
| Formula | C5H10S2 |
| InChI | InChI=1S/C5H10S2/c1-3-5(6)7-4-2/h3-4H2,1-2H3 |
| InChIKey | WHQPNJDXIICPAH-UHFFFAOYSA-N |
| SMILES | C(=S)(CC)SCC |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.945986 |