| SpectraBase Compound ID | DVKeXHBqmct |
|---|---|
| InChI | InChI=1S/C17H26O2S/c1-2-3-4-5-6-7-8-11-14-20-16-13-10-9-12-15(16)17(18)19/h9-10,12-13H,2-8,11,14H2,1H3,(H,18,19) |
| InChIKey | HURAXWUGXJBOKB-UHFFFAOYSA-N |
| Mol Weight | 294.45 g/mol |
| Molecular Formula | C17H26O2S |
| Exact Mass | 294.165351 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | RCGsT6vQNE |
|---|---|
| Name | Benzoic acid, 2-(decylthio)- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 294.165351249 u |
| Formula | C17H26O2S |
| InChI | InChI=1S/C17H26O2S/c1-2-3-4-5-6-7-8-11-14-20-16-13-10-9-12-15(16)17(18)19/h9-10,12-13H,2-8,11,14H2,1H3,(H,18,19) |
| InChIKey | HURAXWUGXJBOKB-UHFFFAOYSA-N |
| Molecular Weight | 294.453 g/mol |
| SMILES | CCCCCCCCCCSC1=CC=CC=C1C(O)=O |