| SpectraBase Compound ID | 8fVP0gK8xHr |
|---|---|
| InChI | InChI=1S/C17H34O2S2/c1-3-4-5-6-7-8-9-10-12-15-20-21-16-13-11-14-17(18)19-2/h3-16H2,1-2H3 |
| InChIKey | QCANDDTWXWHLCG-UHFFFAOYSA-N |
| Mol Weight | 334.6 g/mol |
| Molecular Formula | C17H34O2S2 |
| Exact Mass | 334.200023 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
View the Full Spectrum for FREE!
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | 1DLnDu2qvTV |
|---|---|
| Name | Methyl 6,7-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/c1-3-4-5-6-7-8-9-10-12-15-20-21-16-13-11-14-17(18)19-2/h3-16H2,1-2H3 |
| InChIKey | QCANDDTWXWHLCG-UHFFFAOYSA-N |
| Molecular Weight | 334.577 g/mol |
| SMILES | C(SSCCCCCCCCCCC)CCCC(=O)OC |