| SpectraBase Compound ID | ADJs4sbHjQj |
|---|---|
| InChI | InChI=1S/C12H26O2S/c1-3-5-7-9-11-15(13,14)12-10-8-6-4-2/h3-12H2,1-2H3 |
| InChIKey | HBOOMWHZBIPTMN-UHFFFAOYSA-N |
| Mol Weight | 234.4 g/mol |
| Molecular Formula | C12H26O2S |
| Exact Mass | 234.165351 g/mol |
Raman Spectrum
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| SpectraBase Spectrum ID | H8bphGALOK2 |
|---|---|
| Name | Hexyl sulfone |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 234.165351249 u |
| Formula | C12H26O2S |
| InChI | InChI=1S/C12H26O2S/c1-3-5-7-9-11-15(13,14)12-10-8-6-4-2/h3-12H2,1-2H3 |
| InChIKey | HBOOMWHZBIPTMN-UHFFFAOYSA-N |
| Molecular Weight | 234.398 g/mol |
| SMILES | C(S(=O)(=O)CCCCCC)CCCCC |
| Spectrum/Structure Validation Score (Raman) | 0.819962 |