| SpectraBase Compound ID | KNRQU8JuiET |
|---|---|
| InChI | InChI=1S/C7H14OS/c1-4-9-6-5-7(2,3)8/h5-6,8H,4H2,1-3H3/b6-5- |
| InChIKey | YNLGJCIBRYKURV-WAYWQWQTSA-N |
| Mol Weight | 146.25 g/mol |
| Molecular Formula | C7H14OS |
| Exact Mass | 146.076536 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 4z4gBB94iNH |
|---|---|
| Name | 1-Ethylthio-3-methyl-1(Z)-buten-3-ol |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 146.076536244 u |
| Formula | C7H14OS |
| InChI | InChI=1S/C7H14OS/c1-4-9-6-5-7(2,3)8/h5-6,8H,4H2,1-3H3/b6-5- |
| InChIKey | YNLGJCIBRYKURV-WAYWQWQTSA-N |
| SMILES | C(\C=C/SCC)(O)(C)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.975043 |