| SpectraBase Compound ID | E9UNOuOHfEe |
|---|---|
| InChI | InChI=1S/C8H6O3S/c1-10-5-2-3-6-7(4-5)12-8(9)11-6/h2-4H,1H3 |
| InChIKey | IJUFAVNTSBXUCB-UHFFFAOYSA-N |
| Mol Weight | 182.19 g/mol |
| Molecular Formula | C8H6O3S |
| Exact Mass | 182.003765 g/mol |
13C Nuclear Magnetic Resonance (NMR) Spectrum
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| SpectraBase Spectrum ID | GRI0ZQvnM4I |
|---|---|
| Name | 5-METHOXY-1,3-BENZOXATHIOL-2-ONE |
| Source of Sample | H. Fiedler, University of Rostock, Rostock, Germany |
| Copyright | Copyright © 1980, 1981-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C8H6O3S |
| InChI | InChI=1S/C8H6O3S/c1-10-5-2-3-6-7(4-5)12-8(9)11-6/h2-4H,1H3 |
| InChIKey | IJUFAVNTSBXUCB-UHFFFAOYSA-N |
| Melting Point | 75-75.5C |
| Molecular Weight | 182.20 |
| Solvent | Chloroform-d; Reference=TMS Spectrometer= Varian CFT-20 |
| Synonyms | 1,3-BENZOXATHIOL-2-ONE, 5-METHOXY-, |