| SpectraBase Compound ID | KBCZBeYHx6W |
|---|---|
| InChI | InChI=1S/C16H34O4S/c1-15(2)11-7-5-9-13-19-21(17,18)20-14-10-6-8-12-16(3)4/h15-16H,5-14H2,1-4H3 |
| InChIKey | JIJGGDXPUBYTCP-UHFFFAOYSA-N |
| Mol Weight | 322.5 g/mol |
| Molecular Formula | C16H34O4S |
| Exact Mass | 322.217781 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
View the Full Spectrum for FREE!
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | 6KohyveWyTG |
|---|---|
| Name | bis(6-Methylheptyl) 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/c1-15(2)11-7-5-9-13-19-21(17,18)20-14-10-6-8-12-16(3)4/h15-16H,5-14H2,1-4H3 |
| InChIKey | JIJGGDXPUBYTCP-UHFFFAOYSA-N |
| Molecular Weight | 322.504 g/mol |
| SMILES | C(OS(=O)(=O)OCCCCCC(C)C)CCCCC(C)C |