![Oxirane, [[[3-(octylthio)-2-propenyl]oxy]methyl]-, (E)-](/api/spectrum/4c8gUA5Wusq/structure.png?h=300&w=458 "Oxirane, [[[3-(octylthio)-2-propenyl]oxy]methyl]-, (E)-")
| SpectraBase Compound ID | 1fj8QmJayvM |
|---|---|
| InChI | InChI=1S/C14H26O2S/c1-2-3-4-5-6-7-10-17-11-8-9-15-12-14-13-16-14/h8,11,14H,2-7,9-10,12-13H2,1H3/b11-8+ |
| InChIKey | YIXLYCNXRBPJAL-DHZHZOJOSA-N |
| Mol Weight | 258.42 g/mol |
| Molecular Formula | C14H26O2S |
| Exact Mass | 258.165351 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 4c8gUA5Wusq |
|---|---|
| Name | Oxirane, [[[3-(octylthio)-2-propenyl]oxy]methyl]-, (E)- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 258.165351249 u |
| Formula | C14H26O2S |
| InChI | InChI=1S/C14H26O2S/c1-2-3-4-5-6-7-10-17-11-8-9-15-12-14-13-16-14/h8,11,14H,2-7,9-10,12-13H2,1H3/b11-8+ |
| InChIKey | YIXLYCNXRBPJAL-DHZHZOJOSA-N |
| Molecular Weight | 258.420 g/mol |
| SMILES | C1(OC1)COC\C=C\SCCCCCCCC |