| SpectraBase Compound ID | 3wE02Sf1j9Q |
|---|---|
| InChI | InChI=1S/C8H18O2S/c1-5-7(9)6-11(10)8(2,3)4/h7,9H,5-6H2,1-4H3 |
| InChIKey | XBCSNEMVRFXMFA-UHFFFAOYSA-N |
| Mol Weight | 178.29 g/mol |
| Molecular Formula | C8H18O2S |
| Exact Mass | 178.102751 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | Kw8PbSwHzzv |
|---|---|
| Name | Sulfoxide, 2-hydroxybutyl T-butyl- (polar) |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 178.102750992 u |
| Formula | C8H18O2S |
| InChI | InChI=1S/C8H18O2S/c1-5-7(9)6-11(10)8(2,3)4/h7,9H,5-6H2,1-4H3 |
| InChIKey | XBCSNEMVRFXMFA-UHFFFAOYSA-N |
| Molecular Weight | 178.290 g/mol |
| SMILES | C(O)(CC)CS(=O)C(C)(C)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.871319 |