| SpectraBase Compound ID | 1SAaCZmiCKd |
|---|---|
| InChI | InChI=1S/C22H38O3S.C21H36O3S/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-20-26(23,24)25-22-18-16-21(2)17-19-22;1-2-3-4-5-6-7-8-9-10-11-12-13-17-20-25(22,23)24-21-18-15-14-16-19-21/h16-19H,3-15,20H2,1-2H3;14-16,18-19H,2-13,17,20H2,1H3 |
| InChIKey | JMZYRIQBOMCASM-UHFFFAOYSA-N |
| Mol Weight | 751.2 g/mol |
| Molecular Formula | C43H74O6S2 |
| Exact Mass | 750.492682 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 | CsIMeYMNobL |
|---|---|
| Name | Pentadecanesulfonic acid phenol and cresol esters |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 750.492682445 u |
| Formula | C43H74O6S2 |
| InChI | InChI=1S/C22H38O3S.C21H36O3S/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-20-26(23,24)25-22-18-16-21(2)17-19-22;1-2-3-4-5-6-7-8-9-10-11-12-13-17-20-25(22,23)24-21-18-15-14-16-19-21/h16-19H,3-15,20H2,1-2H3;14-16,18-19H,2-13,17,20H2,1H3 |
| InChIKey | JMZYRIQBOMCASM-UHFFFAOYSA-N |
| Molecular Weight | 751.179 g/mol |
| Nominal Mass | 750 u |
| SMILES | CCCCCCCCCCCCCCCS(OC1=CC=CC=C1)(=O)=O.CCCCCCCCCCCCCCCS(OC1=CC=C(C=C1)C)(=O)=O |