| SpectraBase Compound ID | Eb3zGtR3JyM |
|---|---|
| InChI | InChI=1S/C9H8O3S/c10-9-6-13(11,12)5-7-3-1-2-4-8(7)9/h1-4H,5-6H2 |
| InChIKey | WZCXMBLDKALJTK-UHFFFAOYSA-N |
| Mol Weight | 196.22 g/mol |
| Molecular Formula | C9H8O3S |
| Exact Mass | 196.019415 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | Ae6CpOUJrgG |
|---|---|
| Name | ISOTHIOCHROMAN-4-ONE, 2,2-DIOXIDE |
| Source of Sample | M. S. Chauhan, I. W. Still Can. J. Chem. 53, 2880(1975) |
| Comments | Tentative assignment |
| Copyright | Copyright © 1980, 1981-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C9H8O3S |
| InChI | InChI=1S/C9H8O3S/c10-9-6-13(11,12)5-7-3-1-2-4-8(7)9/h1-4H,5-6H2 |
| InChIKey | WZCXMBLDKALJTK-UHFFFAOYSA-N |
| Molecular Weight | 196.23 |
| Solvent | Chloroform-d; Reference=TMS; Temperature=Ambient Spectrometer= Varian XL-100 |