| SpectraBase Compound ID | 3a2mHVl07eB |
|---|---|
| InChI | InChI=1S/C14H20O4S/c1-3-4-8-13(18-12(2)15)11-19(16,17)14-9-6-5-7-10-14/h5-7,9-10,13H,3-4,8,11H2,1-2H3 |
| InChIKey | KATJFDCFUYSWCX-UHFFFAOYSA-N |
| Mol Weight | 284.37 g/mol |
| Molecular Formula | C14H20O4S |
| Exact Mass | 284.10823 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 9yMKP1PnkTj |
|---|---|
| Name | 2-Acetyloxy-1-benzenesulphonylhexane |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 284.108230294 u |
| Formula | C14H20O4S |
| InChI | InChI=1S/C14H20O4S/c1-3-4-8-13(18-12(2)15)11-19(16,17)14-9-6-5-7-10-14/h5-7,9-10,13H,3-4,8,11H2,1-2H3 |
| InChIKey | KATJFDCFUYSWCX-UHFFFAOYSA-N |
| SMILES | C(S(=O)(=O)C=1C=CC=CC1)C(OC(=O)C)CCCC |