| SpectraBase Compound ID | 8bmjtvc2ynJ |
|---|---|
| InChI | InChI=1S/C23H38O5S2/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/h16-17,19H,2-15,18H2,1H3,(H,24,25)(H,26,27,28) |
| InChIKey | GKIPDPXSFDOPEB-UHFFFAOYSA-N |
| Mol Weight | 458.7 g/mol |
| Molecular Formula | C23H38O5S2 |
| Exact Mass | 458.216067 g/mol |
1H Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | JoiwP06xZyV |
|---|---|
| Name | 2-(hexadecylthio)-5-sulfobenzoic acid |
| Copyright | Copyright © 2009-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C23H38O5S2 |
| InChI | InChI=1S/C23H38O5S2/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/h16-17,19H,2-15,18H2,1H3,(H,24,25)(H,26,27,28) |
| InChIKey | GKIPDPXSFDOPEB-UHFFFAOYSA-N |
| Instrument Name | Varian CFT-20 |
| Sadtler NMR Number | 50549M |
| Solvent | DMSO-d6 |