| SpectraBase Compound ID | 1QDYHfhxMkb |
|---|---|
| InChI | InChI=1S/C17H22O4S2/c18-5-1-2-15-3-4-16-17(14-15)21-9-13-23-11-7-19-6-10-22-12-8-20-16/h1-5,14H,6-13H2/b2-1+ |
| InChIKey | FDSCYTLZSDZWSL-OWOJBTEDSA-N |
| Mol Weight | 354.48 g/mol |
| Molecular Formula | C17H22O4S2 |
| Exact Mass | 354.095952 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | DOSYFPne9PN |
|---|---|
| Name | 3-(8,14-Dithiabenzo-15-crown-5)prop-2-en-1-al |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 354.095951532 u |
| Formula | C17H22O4S2 |
| InChI | InChI=1S/C17H22O4S2/c18-5-1-2-15-3-4-16-17(14-15)21-9-13-23-11-7-19-6-10-22-12-8-20-16/h1-5,14H,6-13H2/b2-1+ |
| InChIKey | FDSCYTLZSDZWSL-OWOJBTEDSA-N |
| Molecular Weight | 354.479 g/mol |
| SMILES | C12=C(OCCSCCOCCSCCO2)C=CC(\C=C\C=O)=C1 |