| SpectraBase Compound ID | 3mollqc5LY8 |
|---|---|
| InChI | InChI=1S/C7H16O2S/c1-7(2,3)6(5-8)10(4)9/h6,8H,5H2,1-4H3 |
| InChIKey | KQUCAEUBILBFOC-UHFFFAOYSA-N |
| Mol Weight | 164.26 g/mol |
| Molecular Formula | C7H16O2S |
| Exact Mass | 164.087101 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | IcLagSgU0H5 |
|---|---|
| Name | (rr,ss)-3,3-Dimethyl-2-(methylsulfinyl)-1-butanol |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 164.087100927 u |
| Formula | C7H16O2S |
| InChI | InChI=1S/C7H16O2S/c1-7(2,3)6(5-8)10(4)9/h6,8H,5H2,1-4H3 |
| InChIKey | KQUCAEUBILBFOC-UHFFFAOYSA-N |
| Molecular Weight | 164.263 g/mol |
| SMILES | C(S(=O)C)(C(C)(C)C)CO |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.899072 |