| SpectraBase Compound ID | C06Dz00PIYa |
|---|---|
| InChI | InChI=1S/C21H38N.C13H26OS2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-16-19-22-20-17-15-18-21-22;1-2-3-4-5-6-7-8-9-10-11-12-14-13(15)16/h15,17-18,20-21H,2-14,16,19H2,1H3;2-12H2,1H3,(H,15,16)/q+1;/p-1 |
| InChIKey | NTUGEMVZKYXZOQ-UHFFFAOYSA-M |
| Mol Weight | 566.0 g/mol |
| Molecular Formula | C34H63NOS2 |
| Exact Mass | 565.435108 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | JazWsR5bhM4 |
|---|---|
| Name | 1-Hexadecylpyridinium o-dodecyl dithiocarbonate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 565.435108000 u |
| Formula | C34H63NOS2 |
| InChI | InChI=1S/C21H38N.C13H26OS2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-16-19-22-20-17-15-18-21-22;1-2-3-4-5-6-7-8-9-10-11-12-14-13(15)16/h15,17-18,20-21H,2-14,16,19H2,1H3;2-12H2,1H3,(H,15,16)/q+1;/p-1 |
| InChIKey | NTUGEMVZKYXZOQ-UHFFFAOYSA-M |
| Molecular Weight | 566.004 g/mol |
| SMILES | C(=S)([S-])OCCCCCCCCCCCC.C=1C=C[N+](=CC1)CCCCCCCCCCCCCCCC |