| SpectraBase Compound ID | JtwxTdVTVbt |
|---|---|
| InChI | InChI=1S/C9H8OS/c10-9-6-11-5-7-3-1-2-4-8(7)9/h1-4H,5-6H2 |
| InChIKey | WXGFRIMZEZRKFH-UHFFFAOYSA-N |
| Mol Weight | 164.22 g/mol |
| Molecular Formula | C9H8OS |
| Exact Mass | 164.029586 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | BuFbmYIVlLs |
|---|---|
| Name | Isothiochroman-4-one |
| CAS Registry Number | 4426-76-0 |
| Copyright | Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved. |
| Formula | C9H8OS |
| InChI | InChI=1S/C9H8OS/c10-9-6-11-5-7-3-1-2-4-8(7)9/h1-4H,5-6H2 |
| InChIKey | WXGFRIMZEZRKFH-UHFFFAOYSA-N |
| Instrument Name | Varian XL-100 |
| Literature Reference | M.S. Chauhan, I.W. Still, Can. J. Chem. 53, 2880 (1975). |
| NMR Standard | TMS |
| Origin | Chemical Concepts. A Wiley Division. Weinheim, Germany |
| Solvent | CDCl3 |