| SpectraBase Compound ID | 3TcdMcQnGyw |
|---|---|
| InChI | InChI=1S/C5H10OS/c1-5(2,4-6)7-3/h4H,1-3H3 |
| InChIKey | DIPLXSBTYRDLGV-UHFFFAOYSA-N |
| Mol Weight | 118.19 g/mol |
| Molecular Formula | C5H10OS |
| Exact Mass | 118.045236 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | DIXDxXLfeF0 |
|---|---|
| Name | 2-Methyl-2-methylthiopropanal |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 118.045236115 u |
| Formula | C5H10OS |
| InChI | InChI=1S/C5H10OS/c1-5(2,4-6)7-3/h4H,1-3H3 |
| InChIKey | DIPLXSBTYRDLGV-UHFFFAOYSA-N |
| Molecular Weight | 118.194 g/mol |
| SMILES | C(C=O)(SC)(C)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.968492 |