| 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 |
1H Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 2FUB8XOl52q |
|---|---|
| Name | isothiochroman-4-one, 2,2-dioxide |
| Copyright | Copyright © 2009-2024 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 |
| Instrument Name | Varian CFT-20 |
| Sadtler NMR Number | 47826M |
| Solvent | DMSO-d6 |