![2,11-Dithia[3.3]orthocyclophane](/api/spectrum/L34MzZrgWui/structure.png?h=300&w=458 "2,11-Dithia[3.3]orthocyclophane")
| SpectraBase Compound ID | DXrgAmbuQtD |
|---|---|
| InChI | InChI=1S/C16H16S2/c1-2-6-14-10-18-12-16-8-4-3-7-15(16)11-17-9-13(14)5-1/h1-8H,9-12H2 |
| InChIKey | KXRCFSVLKQRSGZ-UHFFFAOYSA-N |
| Mol Weight | 272.42 g/mol |
| Molecular Formula | C16H16S2 |
| Exact Mass | 272.069343 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | L34MzZrgWui |
|---|---|
| Name | 2,11-Dithia[3.3]orthocyclophane |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 272.069342863 u |
| Formula | C16H16S2 |
| InChI | InChI=1S/C16H16S2/c1-2-6-14-10-18-12-16-8-4-3-7-15(16)11-17-9-13(14)5-1/h1-8H,9-12H2 |
| InChIKey | KXRCFSVLKQRSGZ-UHFFFAOYSA-N |
| SMILES | C1SCC2=C(CSCC3=C1C=CC=C3)C=CC=C2 |