| SpectraBase Compound ID | HrYmlywvjQD |
|---|---|
| InChI | InChI=1S/C7H6O3S/c8-11(9)5-6-3-1-2-4-7(6)10-11/h1-4H,5H2 |
| InChIKey | LSZOWIZRLIKGIU-UHFFFAOYSA-N |
| Mol Weight | 170.18 g/mol |
| Molecular Formula | C7H6O3S |
| Exact Mass | 170.003765 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | CaPHBx0fTLM |
|---|---|
| Name | 3H-1,2-BENZOXATHIOLE, 2,2-DIOXIDE |
| Source of Sample | Eastman Organic Chemicals, Rochester, New York |
| Copyright | Copyright © 1980, 1981-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C7H6O3S |
| InChI | InChI=1S/C7H6O3S/c8-11(9)5-6-3-1-2-4-7(6)10-11/h1-4H,5H2 |
| InChIKey | LSZOWIZRLIKGIU-UHFFFAOYSA-N |
| Melting Point | 86-87C |
| Molecular Weight | 170.19 |
| Solvent | Polysol; Reference=TMS Spectrometer= Varian CFT-20 |
| Synonyms | BENZOXATHIOLE, 3H-1,2-, 2,2-DIOXIDE |