![7-thiabicyclo[4.2.0]octa-1,3,5-triene](/api/spectrum/1hmMTJnSn6q/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 | 1hmMTJnSn6q |
|---|---|
| Name | Benzothiet |
| CAS Registry Number | 63559-01-3 |
| Copyright | Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. 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 | W.J. Van Tilborg, R. Plomp, J. Chem. Soc. Chem. Comm. 130 (1977). |
| NMR Standard | TMS |
| Origin | Chemical Concepts. A Wiley Division. Weinheim, Germany |
| Solvent | not reported |