| SpectraBase Spectrum ID |
Kn7c7nxu6Wx |
| Name |
3-[(2-Ethyl-2-hydroxy-butyl)sulfonylmethyl]pentan-3-ol |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
266.155180487 u |
| Formula |
C12H26O4S |
| InChI |
InChI=1S/C12H26O4S/c1-5-11(13,6-2)9-17(15,16)10-12(14,7-3)8-4/h13-14H,5-10H2,1-4H3 |
| InChIKey |
ZAHJBANHIXXRBR-UHFFFAOYSA-N |
| Molecular Weight |
266.396 g/mol |
| SMILES |
CCC(CC)(O)CS(=O)(=O)CC(CC)(O)CC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.964387 |
![3-[(2-Ethyl-2-hydroxy-butyl)sulfonylmethyl]pentan-3-ol](/api/spectrum/Kn7c7nxu6Wx/structure.png?h=300&w=458 "3-[(2-Ethyl-2-hydroxy-butyl)sulfonylmethyl]pentan-3-ol")
