| SpectraBase Compound ID | B4H0CunNmyf |
|---|---|
| InChI | InChI=1S/C14H20O4S/c1-13-7-9-14(10-8-13)19(16,17)18-12-6-4-2-3-5-11-15/h7-11H,2-6,12H2,1H3 |
| InChIKey | TXAVTGHUCGFTCW-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 | 2JOX0aFB0ZX |
|---|---|
| Name | 7-Oxoheptyl p-toleuenesulfonate |
| 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/c1-13-7-9-14(10-8-13)19(16,17)18-12-6-4-2-3-5-11-15/h7-11H,2-6,12H2,1H3 |
| InChIKey | TXAVTGHUCGFTCW-UHFFFAOYSA-N |
| SMILES | C=1(S(=O)(=O)OCCCCCCC=O)C=CC(=CC1)C |