![(+-)-10,13-Dimethyl-2,7-dithia[8]paracyclophane](/api/spectrum/A0A91WMfzxP/structure.png?h=300&w=458 "(+-)-10,13-Dimethyl-2,7-dithia[8]paracyclophane")
| SpectraBase Compound ID | 1RaJKaKKd0C |
|---|---|
| InChI | InChI=1S/C14H20S2/c1-11-7-14-10-16-6-4-3-5-15-9-13(11)8-12(14)2/h7-8H,3-6,9-10H2,1-2H3 |
| InChIKey | PJHCHQKQLWBWPT-UHFFFAOYSA-N |
| Mol Weight | 252.43 g/mol |
| Molecular Formula | C14H20S2 |
| Exact Mass | 252.100643 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | A0A91WMfzxP |
|---|---|
| Name | (+-)-10,13-dimethyl-2,7-dithia[8]paracyclophane |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 252.100642992 u |
| Formula | C14H20S2 |
| InChI | InChI=1S/C14H20S2/c1-11-7-14-10-16-6-4-3-5-15-9-13(11)8-12(14)2/h7-8H,3-6,9-10H2,1-2H3 |
| InChIKey | PJHCHQKQLWBWPT-UHFFFAOYSA-N |
| Molecular Weight | 252.434 g/mol |
| SMILES | C12=CC(C)=C(C=C2C)CSCCCCSC1 |