![2-Acetamido-1-[(4-methoxyphenyl)thio]octane](/api/spectrum/Ift5vQpCUaj/structure.png?h=300&w=458 "2-Acetamido-1-[(4-methoxyphenyl)thio]octane")
| SpectraBase Compound ID | 7bcsOqFPrpp |
|---|---|
| InChI | InChI=1S/C17H27NO2S/c1-4-5-6-7-8-15(18-14(2)19)13-21-17-11-9-16(20-3)10-12-17/h9-12,15H,4-8,13H2,1-3H3,(H,18,19) |
| InChIKey | DWXSYDCWYYPMSE-UHFFFAOYSA-N |
| Mol Weight | 309.47 g/mol |
| Molecular Formula | C17H27NO2S |
| Exact Mass | 309.17625 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | Ift5vQpCUaj |
|---|---|
| Name | 2-Acetamido-1-[(4-methoxyphenyl)thio]octane |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 309.176250285 u |
| Formula | C17H27NO2S |
| InChI | InChI=1S/C17H27NO2S/c1-4-5-6-7-8-15(18-14(2)19)13-21-17-11-9-16(20-3)10-12-17/h9-12,15H,4-8,13H2,1-3H3,(H,18,19) |
| InChIKey | DWXSYDCWYYPMSE-UHFFFAOYSA-N |
| Molecular Weight | 309.468 g/mol |
| SMILES | C(NC(CSC1=CC=C(C=C1)OC)CCCCCC)(=O)C |