| SpectraBase Compound ID | AcTwUL3kJZ4 |
|---|---|
| InChI | InChI=1S/C23H38O5S2.C5H5N/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-18-29-22-17-16-20(30(26,27)28)19-21(22)23(24)25;1-2-4-6-5-3-1/h16-17,19H,2-15,18H2,1H3,(H,24,25)(H,26,27,28);1-5H |
| InChIKey | CBALKAGCQJTAGR-UHFFFAOYSA-N |
| Mol Weight | 537.8 g/mol |
| Molecular Formula | C28H43NO5S2 |
| Exact Mass | 537.258266 g/mol |
1H Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | LpD8G0tbogn |
|---|---|
| Name | 2-(hexadecylthio)-5-sulfobenzoic acid, compound with pyridine(1:1) |
| Copyright | Copyright © 2009-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C28H43NO5S2 |
| InChI | InChI=1S/C23H38O5S2.C5H5N/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-18-29-22-17-16-20(30(26,27)28)19-21(22)23(24)25;1-2-4-6-5-3-1/h16-17,19H,2-15,18H2,1H3,(H,24,25)(H,26,27,28);1-5H |
| InChIKey | CBALKAGCQJTAGR-UHFFFAOYSA-N |
| Instrument Name | Varian CFT-20 |
| Sadtler NMR Number | 50871M |
| Solvent | DMSO-d6 |