![3,7-Dithiabicyclo[7.3.1]trideca-1(13),9,11-triene](/api/spectrum/28fVJNm0qSh/structure.png?h=300&w=458 "3,7-Dithiabicyclo[7.3.1]trideca-1(13),9,11-triene")
| SpectraBase Compound ID | LeS3IcTjsuE |
|---|---|
| InChI | InChI=1S/C11H14S2/c1-3-10-7-11(4-1)9-13-6-2-5-12-8-10/h1,3-4,7H,2,5-6,8-9H2 |
| InChIKey | UDVUVDFCVYPFNO-UHFFFAOYSA-N |
| Mol Weight | 210.35 g/mol |
| Molecular Formula | C11H14S2 |
| Exact Mass | 210.053693 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 28fVJNm0qSh |
|---|---|
| Name | 3,7-Dithiabicyclo[7.3.1]trideca-1(13),9,11-triene |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 210.053692799 u |
| Formula | C11H14S2 |
| InChI | InChI=1S/C11H14S2/c1-3-10-7-11(4-1)9-13-6-2-5-12-8-10/h1,3-4,7H,2,5-6,8-9H2 |
| InChIKey | UDVUVDFCVYPFNO-UHFFFAOYSA-N |
| Molecular Weight | 210.353 g/mol |
| SMILES | C12=CC(=CC=C2)CSCCCSC1 |