| SpectraBase Compound ID | 4FNrn49oJTG |
|---|---|
| InChI | InChI=1S/C24H40NS2.C7H8O3S/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-18-21-25-22-19-16-17-20-23(22)27-24(25)26-2;1-6-2-4-7(5-3-6)11(8,9)10/h16-17,19-20H,3-15,18,21H2,1-2H3;2-5H,1H3,(H,8,9,10)/q+1;/p-1 |
| InChIKey | UVGBBNTUIFYOHT-UHFFFAOYSA-M |
| Mol Weight | 577.9 g/mol |
| Molecular Formula | C31H47NO3S3 |
| Exact Mass | 577.271808 g/mol |
1H Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | KQeE3NHAumo |
|---|---|
| Name | 3-hexadecyl-2-(methylthio)benzothiazolium p-toluenesulfonate |
| Copyright | Copyright © 2009-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C31H47NO3S3 |
| InChI | InChI=1S/C24H40NS2.C7H8O3S/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-18-21-25-22-19-16-17-20-23(22)27-24(25)26-2;1-6-2-4-7(5-3-6)11(8,9)10/h16-17,19-20H,3-15,18,21H2,1-2H3;2-5H,1H3,(H,8,9,10)/q+1;/p-1 |
| InChIKey | UVGBBNTUIFYOHT-UHFFFAOYSA-M |
| Instrument Name | Varian CFT-20 |
| Sadtler NMR Number | 52967M |
| Solvent | CDCl3 |