| SpectraBase Compound ID | 7UqQmsH58D4 |
|---|---|
| InChI | InChI=1S/C8H14OS/c1-7(2)4-8(5-9)6-10-3/h4-5,7H,6H2,1-3H3/b8-4+ |
| InChIKey | FNHVKVSDWQLOEU-XBXARRHUSA-N |
| Mol Weight | 158.26 g/mol |
| Molecular Formula | C8H14OS |
| Exact Mass | 158.076536 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 5Xmsc8O1YWs |
|---|---|
| Name | 2-Methylmercaptomethyl-4-methylpent-2-enal |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 158.076536244 u |
| Formula | C8H14OS |
| InChI | InChI=1S/C8H14OS/c1-7(2)4-8(5-9)6-10-3/h4-5,7H,6H2,1-3H3/b8-4+ |
| InChIKey | FNHVKVSDWQLOEU-XBXARRHUSA-N |
| SMILES | C(\C=C/(C=O)CSC)(C)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.970103 |