| SpectraBase Compound ID | 8VLvo8Wxh0p |
|---|---|
| InChI | InChI=1S/C16H32O4S/c1-2-3-4-5-6-7-8-9-10-11-14-21(19,20)15-12-13-16(17)18/h2-15H2,1H3,(H,17,18) |
| InChIKey | JBXDGVSAYRWVET-UHFFFAOYSA-N |
| Mol Weight | 320.5 g/mol |
| Molecular Formula | C16H32O4S |
| Exact Mass | 320.202131 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | FkvdQ4P91Sd |
|---|---|
| Name | 4-(Dodecylsulfonyl)butyric acid |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 320.202130680 u |
| Formula | C16H32O4S |
| InChI | InChI=1S/C16H32O4S/c1-2-3-4-5-6-7-8-9-10-11-14-21(19,20)15-12-13-16(17)18/h2-15H2,1H3,(H,17,18) |
| InChIKey | JBXDGVSAYRWVET-UHFFFAOYSA-N |
| SMILES | OC(CCCS(CCCCCCCCCCCC)(=O)=O)=O |