![2-[(Methylthio)methyl]-5-(methylthio)-2-pentenal](/api/spectrum/Ai0GOMNnEwG/structure.png?h=300&w=458 "2-[(Methylthio)methyl]-5-(methylthio)-2-pentenal")
| SpectraBase Compound ID | 4CWQYHnivt5 |
|---|---|
| InChI | InChI=1S/C8H14OS2/c1-10-5-3-4-8(6-9)7-11-2/h4,6H,3,5,7H2,1-2H3/b8-4+ |
| InChIKey | VVZWQNGEMWJSTM-XBXARRHUSA-N |
| Mol Weight | 190.32 g/mol |
| Molecular Formula | C8H14OS2 |
| Exact Mass | 190.048607 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | Ai0GOMNnEwG |
|---|---|
| Name | 2-[(Methylthio)methyl]-5-(methylthio)-2-pentenal |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 190.048607418 u |
| Formula | C8H14OS2 |
| InChI | InChI=1S/C8H14OS2/c1-10-5-3-4-8(6-9)7-11-2/h4,6H,3,5,7H2,1-2H3/b8-4+ |
| InChIKey | VVZWQNGEMWJSTM-XBXARRHUSA-N |
| Molecular Weight | 190.319 g/mol |
| SMILES | C(\C=C/(C=O)CSC)CSC |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.957287 |