| SpectraBase Compound ID | FXK5hNY5ljC |
|---|---|
| InChI | InChI=1S/C17H34O2S2/c1-3-4-5-6-7-8-10-13-20-15-16-21-14-11-9-12-17(18)19-2/h3-16H2,1-2H3 |
| InChIKey | KRDQKIMXFBKSCO-UHFFFAOYSA-N |
| Mol Weight | 334.6 g/mol |
| Molecular Formula | C17H34O2S2 |
| Exact Mass | 334.200023 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | oe7IJ18Bfd |
|---|---|
| Name | Methyl 6,9-dithia-octadecanoate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 334.200022681 u |
| Formula | C17H34O2S2 |
| InChI | InChI=1S/C17H34O2S2/c1-3-4-5-6-7-8-10-13-20-15-16-21-14-11-9-12-17(18)19-2/h3-16H2,1-2H3 |
| InChIKey | KRDQKIMXFBKSCO-UHFFFAOYSA-N |
| Molecular Weight | 334.577 g/mol |
| SMILES | C(CSCCSCCCCCCCCC)CCC(=O)OC |