| SpectraBase Compound ID | 69N5CrVhD4s |
|---|---|
| InChI | InChI=1S/C23H42N.C7H8O3S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-18-21-24-22-19-17-20-23-24;1-6-2-4-7(5-3-6)11(8,9)10/h17,19-20,22-23H,2-16,18,21H2,1H3;2-5H,1H3,(H,8,9,10)/q+1;/p-1 |
| InChIKey | AOSAPFIEKADTIU-UHFFFAOYSA-M |
| Mol Weight | 503.79 g/mol |
| Molecular Formula | C30H49NO3S |
| Exact Mass | 503.343316 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | HrSv9DrFzlq |
|---|---|
| Name | 1-Octadecylpyridinium p-toluenesulfonate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 503.343315613 u |
| Formula | C30H49NO3S |
| InChI | InChI=1S/C23H42N.C7H8O3S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-18-21-24-22-19-17-20-23-24;1-6-2-4-7(5-3-6)11(8,9)10/h17,19-20,22-23H,2-16,18,21H2,1H3;2-5H,1H3,(H,8,9,10)/q+1;/p-1 |
| InChIKey | AOSAPFIEKADTIU-UHFFFAOYSA-M |
| Molecular Weight | 503.786 g/mol |
| SMILES | C1=C(C=CC(=C1)S(=O)([O-])=O)C.C=1[N+](=CC=CC1)CCCCCCCCCCCCCCCCCC |