| SpectraBase Compound ID | JmwYIhKJhQn |
|---|---|
| InChI | InChI=1S/C18H30O2S/c1-17(19)20-15-11-9-7-5-3-2-4-6-8-10-13-18-14-12-16-21-18/h12,14,16H,2-11,13,15H2,1H3 |
| InChIKey | WDOQOEBBUVTEJE-UHFFFAOYSA-N |
| Mol Weight | 310.5 g/mol |
| Molecular Formula | C18H30O2S |
| Exact Mass | 310.196651 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | JTRY8rHfz7k |
|---|---|
| Name | 1-Acetoxy-12-thienyldodecane |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 310.196651378 u |
| Formula | C18H30O2S |
| InChI | InChI=1S/C18H30O2S/c1-17(19)20-15-11-9-7-5-3-2-4-6-8-10-13-18-14-12-16-21-18/h12,14,16H,2-11,13,15H2,1H3 |
| InChIKey | WDOQOEBBUVTEJE-UHFFFAOYSA-N |
| Molecular Weight | 310.496 g/mol |
| SMILES | C(CCCCCCCCCCCC1=CC=CS1)OC(=O)C |