| SpectraBase Compound ID | 8tQ1F0CFuNK |
|---|---|
| InChI | InChI=1S/C21H42O5S.Na/c1-3-5-7-9-11-14-20(15-12-10-8-6-4-2)16-17-21(22)26-18-13-19-27(23,24)25;/h20H,3-19H2,1-2H3,(H,23,24,25);/q;+1/p-1 |
| InChIKey | XYIAVNNCQWWAAG-UHFFFAOYSA-M |
| Mol Weight | 428.6 g/mol |
| Molecular Formula | C21H41NaO5S |
| Exact Mass | 428.25724 g/mol |
1H Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | Bd6QnX9qsHh |
|---|---|
| Name | 4-heptylundecanoic acid, 3-sulfopropyl ester, sodium salt |
| Copyright | Copyright © 2009-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C21H41NaO5S |
| InChI | InChI=1S/C21H42O5S.Na/c1-3-5-7-9-11-14-20(15-12-10-8-6-4-2)16-17-21(22)26-18-13-19-27(23,24)25;/h20H,3-19H2,1-2H3,(H,23,24,25);/q;+1/p-1 |
| InChIKey | XYIAVNNCQWWAAG-UHFFFAOYSA-M |
| Instrument Name | Varian CFT-20 |
| Sadtler NMR Number | 52200M |
| Solvent | Polysol |