| SpectraBase Compound ID | AGwR75MzCCQ |
|---|---|
| InChI | InChI=1S/C16H34O4S/c1-5-7-9-11-13-15(3)19-21(17,18)20-16(4)14-12-10-8-6-2/h15-16H,5-14H2,1-4H3 |
| InChIKey | QFYIYWKOWDQJKD-UHFFFAOYSA-N |
| Mol Weight | 322.5 g/mol |
| Molecular Formula | C16H34O4S |
| Exact Mass | 322.217781 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 4nHINdrLZYf |
|---|---|
| Name | bis(2-Octyl)sulfate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 322.217780745 u |
| Formula | C16H34O4S |
| InChI | InChI=1S/C16H34O4S/c1-5-7-9-11-13-15(3)19-21(17,18)20-16(4)14-12-10-8-6-2/h15-16H,5-14H2,1-4H3 |
| InChIKey | QFYIYWKOWDQJKD-UHFFFAOYSA-N |
| Molecular Weight | 322.504 g/mol |
| SMILES | C(OS(=O)(=O)OC(CCCCCC)C)(CCCCCC)C |