![7-thiabicyclo[4.2.0]octa-1,3,5-triene](/api/spectrum/InEqyNeewtw/structure.png?h=300&w=458 "7-thiabicyclo[4.2.0]octa-1,3,5-triene")
| SpectraBase Compound ID | mePuredoJ1 |
|---|---|
| InChI | InChI=1S/C7H6S/c1-2-4-7-6(3-1)5-8-7/h1-4H,5H2 |
| InChIKey | KUGJQUKMALCUKX-UHFFFAOYSA-N |
| Mol Weight | 122.18 g/mol |
| Molecular Formula | C7H6S |
| Exact Mass | 122.019021 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | InEqyNeewtw |
|---|---|
| Name | 7-thiabicyclo[4.2.0]octa-1,3,5-triene |
| Copyright | Copyright © 2016-2025 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C7H6S |
| InChI | InChI=1S/C7H6S/c1-2-4-7-6(3-1)5-8-7/h1-4H,5H2 |
| InChIKey | KUGJQUKMALCUKX-UHFFFAOYSA-N |
| Literature Reference Author | ORGANIC_CHEMISTRY_(NMR-DEPARTMENT);UNIVERSITY_MAINZ |
| Literature Reference Citation | UNI_MAINZ,INTERNAL_DB(2006) |
| Molecular Weight | 122.185 g/mol |
| Source File Reference | MHKO820 |