| SpectraBase Compound ID | LMuiTj3O5T4 |
|---|---|
| InChI | InChI=1S/C23H38O2S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-20-26-22-18-16-21(17-19-22)23(24)25/h16-19H,2-15,20H2,1H3,(H,24,25) |
| InChIKey | PGEKRBLLRYOEES-UHFFFAOYSA-N |
| Mol Weight | 378.6 g/mol |
| Molecular Formula | C23H38O2S |
| Exact Mass | 378.259252 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | JeJs0kSW70y |
|---|---|
| Name | p-(Hexadecylthio)benzoic acid |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 378.259251636 u |
| Formula | C23H38O2S |
| InChI | InChI=1S/C23H38O2S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-20-26-22-18-16-21(17-19-22)23(24)25/h16-19H,2-15,20H2,1H3,(H,24,25) |
| InChIKey | PGEKRBLLRYOEES-UHFFFAOYSA-N |
| Molecular Weight | 378.615 g/mol |
| SMILES | OC(C1=CC=C(C=C1)SCCCCCCCCCCCCCCCC)=O |