| SpectraBase Compound ID | 16LcltxmmXr |
|---|---|
| InChI | InChI=1S/C7H14OS2/c1-7(2,8)6(10-4)5-9-3/h5,8H,1-4H3/b6-5- |
| InChIKey | KVLFPBRLACXNMK-WAYWQWQTSA-N |
| Mol Weight | 178.31 g/mol |
| Molecular Formula | C7H14OS2 |
| Exact Mass | 178.048607 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | CqxBZcCrCv6 |
|---|---|
| Name | (Z)-2-Methyl-3,4-bis(methylthio)but-3-en-2-ol |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 178.048607418 u |
| Formula | C7H14OS2 |
| InChI | InChI=1S/C7H14OS2/c1-7(2,8)6(10-4)5-9-3/h5,8H,1-4H3/b6-5- |
| InChIKey | KVLFPBRLACXNMK-WAYWQWQTSA-N |
| Molecular Weight | 178.308 g/mol |
| SMILES | C(\C(=C\SC)SC)(O)(C)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.915927 |